Geometry & MOs

Info

ID:	23174
PubChem CID:	602695
Reduced:	NH10C11 (2)
Stoich.:	AB10C11 (2)
Weight, g/mol:	312.162649
ΔH_f, kcal/mol:	98.09
Dipole, Da:	3.34
IP(EA), eV:	-8.64(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-anilino-2-benzyl-3-phenylpropanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C#N)C(C2=CC=CC=C2)NC3=CC=CC=C3

DOS

IR

Vibrations