Geometry & MOs

Info

ID:	383943
PubChem CID:	134976017
Reduced:	NOC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	282.069054
ΔH_f, kcal/mol:	-22.86
Dipole, Da:	8.68
IP(EA), eV:	-9.9(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3,4-dichloro-2-[2-(dimethylamino)ethyl]-2-phenylbut-3-enenitrile

Drug info:

PubChemData

Smile

COC(CC1=CN=C(C=C1)C#N)OC

DOS

IR

Vibrations