Geometry & MOs

Info

ID:	287948
PubChem CID:	104301700
Reduced:	ClNC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	203.974485
ΔH_f, kcal/mol:	21.62
Dipole, Da:	4.04
IP(EA), eV:	-9.12(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichloro-5-methylbenzoic acid

Drug info:

PubChemData

Smile

CCNC(CC1=C(C=NC=C1)Cl)C2=CC(=C(C=C2)Cl)C

DOS

IR

Vibrations