Geometry & MOs

Info

ID:	2905
PubChem CID:	8806
Reduced:	NCl2H9C14 (1)
Stoich.:	AB2C9D14 (1)
Weight, g/mol:	261.011205
ΔH_f, kcal/mol:	58.38
Dipole, Da:	2.57
IP(EA), eV:	-9.7(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-bis(4-chlorophenyl)acetonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(C#N)C2=CC=C(C=C2)Cl)Cl

DOS

IR

Vibrations