Geometry & MOs

Info

ID:	16066
PubChem CID:	458978
Reduced:	O2N3H17C23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	367.132077
ΔH_f, kcal/mol:	126.02
Dipole, Da:	8.69
IP(EA), eV:	-10.02(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-nitrophenyl)-3,4-diphenylpentanedinitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C#N)C(C2=CC=CC=C2)C(C#N)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations