Geometry & MOs

Info

ID:	310340
PubChem CID:	126579014
Reduced:	NH8C12 (4)
Stoich.:	AB8C12 (4)
Weight, g/mol:	662.272199
ΔH_f, kcal/mol:	248.51
Dipole, Da:	2.5
IP(EA), eV:	-8.94(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC(=CC=C3)C4=CC(=CC=C4)C5=CC(=CC=C5)C6=NC7=CC=CC=C7C(=N6)C8=NC=CC(=C8)C9=CC=NC=C9

DOS

IR

Vibrations