Geometry & MOs

Info

ID:	439486
PubChem CID:	135229260
Reduced:	NOH13C14 (2)
Stoich.:	ABC13D14 (2)
Weight, g/mol:	729.264094
ΔH_f, kcal/mol:	8.02
Dipole, Da:	7.68
IP(EA), eV:	-8.16(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[8-methyl-9-[3-(1,10-phenanthrolin-2-yl)phenyl]-7,8-dihydro-1,10-phenanthrolin-2-yl]-5-(1,10-phenanthrolin-2-yl)benzonitrile

Drug info:

PubChemData

Smile

CC1C(C2=CC=CC=C2N1C)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)C)C

DOS

IR

Vibrations