Geometry & MOs

Info

ID:	358280
PubChem CID:	127295825
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	376.283826
ΔH_f, kcal/mol:	-134.87
Dipole, Da:	7.24
IP(EA), eV:	-8.81(0.04)
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)-4-(2-cyclopentylacetyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(CO2)NC(=O)N3CCCN(CC3)C(=O)CC4CCCC4)C

DOS

IR

Vibrations