Geometry & MOs

Info

ID:	28497
PubChem CID:	827978
Reduced:	N2O4H18C19 (1)
Stoich.:	A2B4C18D19 (1)
Weight, g/mol:	248.91922
ΔH_f, kcal/mol:	-127.18
Dipole, Da:	1.32
IP(EA), eV:	-8.59(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-bromo-3-chlorobenzoic acid

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2=C(N(C3=CC=CC=C3C2=O)C)O

DOS

IR

Vibrations