Geometry & MOs

Info

ID:	8813
PubChem CID:	81850
Reduced:	ClO3H7C9 (1)
Stoich.:	AB3C7D9 (1)
Weight, g/mol:	198.008372
ΔH_f, kcal/mol:	-103.64
Dipole, Da:	3.43
IP(EA), eV:	-10.73(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-carbonochloridoylbenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C(=O)Cl

DOS

IR

Vibrations