Geometry & MOs

Info

ID:	224679
PubChem CID:	85345872
Reduced:	N2O2H20C21 (1)
Stoich.:	A2B2C20D21 (1)
Weight, g/mol:	332.156501
ΔH_f, kcal/mol:	50.17
Dipole, Da:	9.11
IP(EA), eV:	-8.84(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-phenylhexa-1,3,5-trienyl)phenanthrene

Drug info:

PubChemData

Smile

CN1C=C(C2=C1C3=C(CCCC3)C(=C2)C=CC4=CC=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations