Geometry & MOs

Info

ID:	13429
PubChem CID:	231894
Reduced:	ClNO2H4C8 (1)
Stoich.:	ABC2D4E8 (1)
Weight, g/mol:	180.993056
ΔH_f, kcal/mol:	-32.14
Dipole, Da:	2.71
IP(EA), eV:	-10.59(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-cyanobenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)Cl)C(=O)O

DOS

IR

Vibrations