Geometry & MOs

Info

ID:	363494
PubChem CID:	127311545
Reduced:	FO2N4C21H27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	386.211804
ΔH_f, kcal/mol:	-85.72
Dipole, Da:	4.09
IP(EA), eV:	-8.79(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclohexyl)-2-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanamide

Drug info:

PubChemData

Smile

CN(CC(=O)N(C)C1(CCCCC1)C#N)C2CCN(C2=O)C3=CC=CC=C3F

DOS

IR

Vibrations