Geometry & MOs

Info

ID:	24586
PubChem CID:	611234
Reduced:	NOC17H17 (1)
Stoich.:	ABC17D17 (1)
Weight, g/mol:	251.131014
ΔH_f, kcal/mol:	19.4
Dipole, Da:	4.93
IP(EA), eV:	-8.73(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-methoxyphenyl)phenyl]butanenitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations