Geometry & MOs

Info

ID:	261125
PubChem CID:	103218876
Reduced:	ON4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	407.97377
ΔH_f, kcal/mol:	41.7
Dipole, Da:	6.78
IP(EA), eV:	-9.21(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-chloro-4-iodobenzoyl)piperazin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CCNC1=CC(=O)N(N=C1)CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations