Geometry & MOs

Info

ID:	26217
PubChem CID:	641129
Reduced:	O2Cl3C7H7 (1)
Stoich.:	A2B3C7D7 (1)
Weight, g/mol:	181.990135
ΔH_f, kcal/mol:	-91.25
Dipole, Da:	4.63
IP(EA), eV:	-9.87(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2,4-dichloro-3-methylbut-2-enoate

Drug info:

PubChemData

Smile

C1CC(=COC1)C(=O)C(Cl)(Cl)Cl

DOS

IR

Vibrations