Geometry & MOs

Info

ID:	373734
PubChem CID:	131319477
Reduced:	IN2O4H7C8 (1)
Stoich.:	AB2C4D7E8 (1)
Weight, g/mol:	321.94505
ΔH_f, kcal/mol:	-54.72
Dipole, Da:	4.73
IP(EA), eV:	-9.62(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations