Geometry & MOs

Info

ID:	129179
PubChem CID:	51071875
Reduced:	ClN3O4C21H28 (1)
Stoich.:	AB3C4D21E28 (1)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	-184.34
Dipole, Da:	4.05
IP(EA), eV:	-9.28(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-acetamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1CCC(CC1)NC(=O)[C@@H]2CCCN2C(=O)COC3=CC=C(C=C3)Cl

DOS

IR

Vibrations