Geometry & MOs

Info

ID:	17976
PubChem CID:	530720
Reduced:	ClO3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	226.039672
ΔH_f, kcal/mol:	-91.48
Dipole, Da:	4.61
IP(EA), eV:	-9.35(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloroprop-2-enyl 2-methoxybenzoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)OCC=CCl

DOS

IR

Vibrations