Geometry & MOs

Info

ID:	24611
PubChem CID:	611334
Reduced:	ON2C17H18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	266.141913
ΔH_f, kcal/mol:	33.92
Dipole, Da:	3.9
IP(EA), eV:	-8.3(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyanilino)-2-methyl-3-phenylpropanenitrile

Drug info:

PubChemData

Smile

CC(C#N)C(C1=CC=CC=C1)NC2=CC=C(C=C2)OC

DOS

IR

Vibrations