4-[(4-Azido-2-Nitrophenyl)Amino]-N-(3-Sec-Butyl-9,10-Dimethoxy-1,3,4,6,7,11B-Hexahydro-2H-Pyrido[2,1-A]Isoquinolin-2-Yl)Butanamide

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Properties Simple | Detailed

Formula C29H40N7O5
IUPAC Name 4-(4-azido-2-nitro-anilino)-n-[(2s,3s,5r,11bs)-9,10-dimethoxy-3-[(1s)-1-methylpropyl]-2,3,4,6,7,11b-hexahydro-1h-benzo[a]quinolizin-2-yl]butanamide
Molecular Mass 566.672 g·mol−1
Heat of Formation -142.5 ± 16.7 kJ·mol−1
Dipole Moment 8.45 ± 1.08 D
Volume 682.04 Å 3
Surface Area 582.73 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -1.51 ± eV
Point Group Symmetry C1
InChIKey BCPKZWCZNQRRFQ-NBTDEQPMSA-N
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