Geometry & MOs

Info

ID:	373733
PubChem CID:	131319473
Reduced:	IN2O4H7C8 (1)
Stoich.:	AB2C4D7E8 (1)
Weight, g/mol:	321.94505
ΔH_f, kcal/mol:	-63.18
Dipole, Da:	4.14
IP(EA), eV:	-9.41(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-4-iodo-5-nitrophenyl)acetic acid

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1N)[N+](=O)[O-])I)CC(=O)O

DOS

IR

Vibrations