Geometry & MOs

Info

ID:	10046
PubChem CID:	96575
Reduced:	BrNH14C16 (1)
Stoich.:	ABC14D16 (1)
Weight, g/mol:	299.03096
ΔH_f, kcal/mol:	73.9
Dipole, Da:	3.61
IP(EA), eV:	-9.82(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2,2-diphenylbutanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CCBr)(C#N)C2=CC=CC=C2

DOS

IR

Vibrations