Geometry & MOs

Info

ID:	321968
PubChem CID:	126667576
Reduced:	N3H31C49 (1)
Stoich.:	A3B31C49 (1)
Weight, g/mol:	507.1987
ΔH_f, kcal/mol:	248.16
Dipole, Da:	0.46
IP(EA), eV:	-8.4(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)C4=C5C=CC=CC5=C(C6=CC=CC=C64)C7=NC(=NC(=N7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C12

DOS

IR

Vibrations