Geometry & MOs

Info

ID:	28418
PubChem CID:	827461
Reduced:	OC4H6 (3)
Stoich.:	AB4C6 (3)
Weight, g/mol:	185.024356
ΔH_f, kcal/mol:	-152.5
Dipole, Da:	3.39
IP(EA), eV:	-10.15(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-chloro-3-methylbenzoic acid

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1[C@@H]2CCCC[C@H]2CCC1=O

DOS

IR

Vibrations