Geometry & MOs

Info

ID:	129172
PubChem CID:	51071845
Reduced:	N3O3C32H35 (1)
Stoich.:	A3B3C32D35 (1)
Weight, g/mol:	463.247107
ΔH_f, kcal/mol:	-79.79
Dipole, Da:	3.48
IP(EA), eV:	-9.46(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-benzamidocyclohexyl)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4CCC(CC4)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations