Geometry & MOs

Info

ID:	347150
PubChem CID:	127271691
Reduced:	NOC16H27 (1)
Stoich.:	ABC16D27 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	-87.39
Dipole, Da:	4.02
IP(EA), eV:	-8.9(1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzyl-2-oxopyrrolidin-3-yl)-3-cyclohexyl-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)N1CC2CC3CC(C2)CC1C3

DOS

IR

Vibrations