Geometry & MOs

Info

ID:	11509
PubChem CID:	116773
Reduced:	ClON2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	274.087291
ΔH_f, kcal/mol:	6.06
Dipole, Da:	6.94
IP(EA), eV:	-8.66(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-aminophenyl)-2-(4-methoxyphenyl)acetonitrile;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C#N)C2=CC=C(C=C2)N.Cl

DOS

IR

Vibrations