Geometry & MOs

Info

ID:	232684
PubChem CID:	87576718
Reduced:	NO2C14H14 (2)
Stoich.:	AB2C14D14 (2)
Weight, g/mol:	356.05684
ΔH_f, kcal/mol:	-105.03
Dipole, Da:	4.19
IP(EA), eV:	-8.45(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-pentylphenyl)benzonitrile;silver

Drug info:

PubChemData

Smile

CCNC(=O)C1=C(C=C(C(=C1C2=CNC3=CC=CC=C32)C)C)C4=CC(=C(C=C4)C(=O)OC)OC

DOS

IR

Vibrations