Geometry & MOs

Info

ID:	373735
PubChem CID:	131319481
Reduced:	IN2O4H7C8 (1)
Stoich.:	AB2C4D7E8 (1)
Weight, g/mol:	321.94505
ΔH_f, kcal/mol:	-61.13
Dipole, Da:	6.08
IP(EA), eV:	-9.37(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-2-iodo-5-nitrophenyl)acetic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1CC(=O)O)N)[N+](=O)[O-])I

DOS

IR

Vibrations