Geometry & MOs

Info

ID:	13224
PubChem CID:	223512
Reduced:	NO2H13C16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	251.094629
ΔH_f, kcal/mol:	6.01
Dipole, Da:	6.72
IP(EA), eV:	-9.52(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-3-oxo-2-phenylpropanenitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)C(C#N)C2=CC=CC=C2

DOS

IR

Vibrations