Geometry & MOs

Info

ID:	52154
PubChem CID:	12014948
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	237.89359
ΔH_f, kcal/mol:	-44.64
Dipole, Da:	2.36
IP(EA), eV:	-9.72(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-3,4,4,4-tetrachlorobut-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)C(/C=C/CCCC#[N+][O-])OC

DOS

IR

Vibrations