Geometry & MOs

Info

ID:	439501
PubChem CID:	135229275
Reduced:	O3H22C25 (1)
Stoich.:	A3B22C25 (1)
Weight, g/mol:	486.184447
ΔH_f, kcal/mol:	-25.86
Dipole, Da:	2.23
IP(EA), eV:	-8.6(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4a,10b-dihydro-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline

Drug info:

PubChemData

Smile

CC1CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC3=CC4=C(C=C3)C=C(C=C4)OC

DOS

IR

Vibrations