Geometry & MOs

Info

ID:	441835
PubChem CID:	135245650
Reduced:	N3H25C36 (1)
Stoich.:	A3B25C36 (1)
Weight, g/mol:	579.242296
ΔH_f, kcal/mol:	174.28
Dipole, Da:	2.5
IP(EA), eV:	-8.7(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[10-[6-[(2E,4Z)-hepta-2,4,6-trien-2-yl]pyridazin-3-yl]phenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=N)N=C(C2=CC3=CC=CC=C3C=C2C4=CC5=C(C=C4)C6=CC=CC=C6C7=CC=CC=C75)N

DOS

IR

Vibrations