Geometry & MOs

Info

ID:	129175
PubChem CID:	51071852
Reduced:	NOC8H11 (3)
Stoich.:	ABC8D11 (3)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-146.08
Dipole, Da:	4.65
IP(EA), eV:	-9.56(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-benzamidocyclohexyl)-1-(cyclobutanecarbonyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CCC[C@H]2C(=O)NC3CCC(CC3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations