Geometry & MOs

Info

ID:	349075
PubChem CID:	127274801
Reduced:	NOC8H14 (2)
Stoich.:	ABC8D14 (2)
Weight, g/mol:	388.189926
ΔH_f, kcal/mol:	-137.63
Dipole, Da:	5.99
IP(EA), eV:	-9.61(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3H-benzimidazol-5-yl)-1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CC(C1)(C)C)CC(=O)N2CCC(=O)NCC2

DOS

IR

Vibrations