Geometry & MOs

Info

ID:	373730
PubChem CID:	131319440
Reduced:	BrNO4C9H10 (1)
Stoich.:	ABC4D9E10 (1)
Weight, g/mol:	321.94505
ΔH_f, kcal/mol:	-137.34
Dipole, Da:	5.56
IP(EA), eV:	-10.43(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(C1=CC(=NC(=C1)Br)C(=O)O)OC

DOS

IR

Vibrations