Geometry & MOs

Info

ID:	368374
PubChem CID:	127328262
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-116.95
Dipole, Da:	1.52
IP(EA), eV:	-8.85(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylcyclohexyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)N1CSCC1C(=O)NC2=CC=C(C=C2)CN3CCOCC3

DOS

IR

Vibrations