Geometry & MOs

Info

ID:	379104
PubChem CID:	134352377
Reduced:	N2H32C49 (1)
Stoich.:	A2B32C49 (1)
Weight, g/mol:	586.215747
ΔH_f, kcal/mol:	318.83
Dipole, Da:	3.92
IP(EA), eV:	-7.76(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenyl]quinoline

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC3=C=C=C(C4=C3C2=C1C=C4)N(C5=CC=CC=C5)C6=CC=CC7=CC=CC=C76)N(C8=CC=CC=C8)C9=CC=CC1=CC=CC=C19

DOS

IR

Vibrations