Geometry & MOs

Info

ID:	8800
PubChem CID:	81626
Reduced:	ClNO3C8H8 (1)
Stoich.:	ABC3D8E8 (1)
Weight, g/mol:	201.019271
ΔH_f, kcal/mol:	-116.13
Dipole, Da:	9.58
IP(EA), eV:	-9.12(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-chloro-2-methoxybenzoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)O)Cl)N

DOS

IR

Vibrations