Geometry & MOs

Info

ID:	310344
PubChem CID:	126579059
Reduced:	N3H33C49 (1)
Stoich.:	A3B33C49 (1)
Weight, g/mol:	663.267448
ΔH_f, kcal/mol:	235.54
Dipole, Da:	1.85
IP(EA), eV:	-8.98(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-(2-pyridin-4-ylphenyl)quinazoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC=CC(=C3)C4=CC(=CC=C4)C5=NC6=CC=CC=C6C(=C5)C7=NC=CC(=C7)C8=CC=NC=C8)C9=CC=CC=C9

DOS

IR

Vibrations