Geometry & MOs

Info

ID:	129180
PubChem CID:	51071876
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	447.252192
ΔH_f, kcal/mol:	-150.78
Dipole, Da:	3.43
IP(EA), eV:	-9.41(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-acetamidocyclohexyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1CCC(CC1)NC(=O)[C@@H]2CCCN2C(=O)CCC3=CC=CC=C3

DOS

IR

Vibrations