Geometry & MOs

Info

ID:	310347
PubChem CID:	126579085
Reduced:	NH33C51 (1)
Stoich.:	AB33C51 (1)
Weight, g/mol:	737.283098
ΔH_f, kcal/mol:	211.88
Dipole, Da:	2.54
IP(EA), eV:	-8.6(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4,6-diphenylpyridin-2-yl)-2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinazoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC(=NC4=CC=CC=C43)C5=CC=CC(=C5)C6=CC(=CC=C6)C7=CC8=C(C=C7)C9=CC=CC=C9C1=CC=CC=C18

DOS

IR

Vibrations