Geometry & MOs

Info

ID:	172188
PubChem CID:	75476668
Reduced:	FNS2O5H8C11 (1)
Stoich.:	ABC2D5E8F11 (1)
Weight, g/mol:	321.04767
ΔH_f, kcal/mol:	-108.3
Dipole, Da:	6.48
IP(EA), eV:	-10.19(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]benzonitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(S1)OC2=CC=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations