Geometry & MOs

Info

ID:	337799
PubChem CID:	127258422
Reduced:	ClON2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	52.63
Dipole, Da:	2.09
IP(EA), eV:	-9.66(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-3,3-dimethyl-2-(4-phenyl-1,3-dioxolan-2-ylidene)butanenitrile

Drug info:

PubChemData

Smile

C/C(=N\O)/C(=C/C1=CC=CC=C1Cl)/C#N

DOS

IR

Vibrations