Geometry & MOs

Info

ID:	435974
PubChem CID:	135193120
Reduced:	ClON2H9C12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	198.008372
ΔH_f, kcal/mol:	61.57
Dipole, Da:	2.42
IP(EA), eV:	-8.67(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

formyl 3-chloro-2-methylbenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=C(C(=CC=C2)Cl)N=O)N

DOS

IR

Vibrations