Geometry & MOs

Info

ID:	383735
PubChem CID:	134975622
Reduced:	O2Cl3C8H13 (1)
Stoich.:	A2B3C8D13 (1)
Weight, g/mol:	244.956582
ΔH_f, kcal/mol:	-147.21
Dipole, Da:	2.93
IP(EA), eV:	-11.06(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2,3,4-trichloro-2-phenylbut-3-enenitrile

Drug info:

PubChemData

Smile

CC(C)OC(=O)CC(C)C(Cl)(Cl)Cl

DOS

IR

Vibrations