Geometry & MOs

Info

ID:	367305
PubChem CID:	127324084
Reduced:	O2N5C19H31 (1)
Stoich.:	A2B5C19D31 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-73.96
Dipole, Da:	2.5
IP(EA), eV:	-8.7(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)NC3CCN4C3CCCC4)C

DOS

IR

Vibrations