2-[3-(Octahydropyrido[1,2-A][1,4]Diazepin-2(3H)-Yl)Propyl]Guanidine

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Formula C13H27N5
IUPAC Name 2-[3-[(2r,6s,10as)-3,4,5,7,8,9,10,10a-octahydro-1h-pyrido[1,2-a][1,4]diazepin-2-yl]propyl]guanidine
Molecular Mass 253.387 g·mol−1
Heat of Formation 35.5 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 339.47 Å 3
Surface Area 306.32 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 1.26 ± eV
Point Group Symmetry C1
InChIKey AUWYSECDKOAUNS-LBPRGKRZSA-N
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Elements H C N