Geometry & MOs

Info

ID:	129181
PubChem CID:	51071877
Reduced:	NOC9H11 (3)
Stoich.:	ABC9D11 (3)
Weight, g/mol:	493.180011
ΔH_f, kcal/mol:	-110.04
Dipole, Da:	3.63
IP(EA), eV:	-9.28(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-acetamidocyclohexyl)-1-[3,5-bis(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1CCC(CC1)NC(=O)[C@@H]2CCCN2C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations