Geometry & MOs

Info

ID:	4707
PubChem CID:	11895
Reduced:	ClO2H7C8 (1)
Stoich.:	AB2C7D8 (1)
Weight, g/mol:	170.013457
ΔH_f, kcal/mol:	-68.3
Dipole, Da:	2.14
IP(EA), eV:	-9.86(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-chlorobenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1Cl

DOS

IR

Vibrations