Geometry & MOs

Info

ID:	20412
PubChem CID:	583818
Reduced:	ClO3C6H9 (1)
Stoich.:	AB3C6D9 (1)
Weight, g/mol:	164.024022
ΔH_f, kcal/mol:	-124.28
Dipole, Da:	3.57
IP(EA), eV:	-9.9(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-chloro-3-methoxybut-2-enoate

Drug info:

PubChemData

Smile

COC(=CC(=O)OC)CCl

DOS

IR

Vibrations