Geometry & MOs

Info

ID:	270425
PubChem CID:	103636520
Reduced:	ClNO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	323.02694
ΔH_f, kcal/mol:	-87.03
Dipole, Da:	2.66
IP(EA), eV:	-9.61(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-bromo-2-hydroxybenzoyl)piperazin-1-yl]acetonitrile

Drug info:

PubChemData

Smile

CCC(C1CCCCC1)NC(=O)C2=CC=C(O2)Cl

DOS

IR

Vibrations