Geometry & MOs

Info

ID:	182674
PubChem CID:	76922434
Reduced:	ClNOH10C11 (1)
Stoich.:	ABCD10E11 (1)
Weight, g/mol:	227.031333
ΔH_f, kcal/mol:	10.83
Dipole, Da:	2.94
IP(EA), eV:	-9.12(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[chloro-(3,5-difluorophenyl)methylidene]butanenitrile

Drug info:

PubChemData

Smile

CC(=C(C1=CC(=CC=C1)OC)Cl)C#N

DOS

IR

Vibrations