Methyl (2E)-4-[(4-{2-[(1R,5S)-9-Methoxy-9-(3-Methoxyphenyl)-3-Azabicyclo[3.3.1]Non-3-Yl]Ethyl}Phenyl)Amino]-4-Oxo-2-Butenoate

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Properties Simple | Detailed

Formula C29H36N2O5
IUPAC Name methyl (e)-4-[4-[2-[(1s,5r)-9-methoxy-9-(3-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-3-yl]ethyl]anilino]-4-oxo-but-2-enoate
Molecular Mass 492.607 g·mol−1
Heat of Formation -630.3 ± 16.7 kJ·mol−1
Dipole Moment 5.15 ± 1.08 D
Volume 607.27 Å 3
Surface Area 509.79 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
InChIKey FASXXDVYSXBNAR-RLQISVLLSA-N
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