Geometry & MOs

Info

ID:	310338
PubChem CID:	126578998
Reduced:	NH17C25 (2)
Stoich.:	AB17C25 (2)
Weight, g/mol:	712.287849
ΔH_f, kcal/mol:	225.15
Dipole, Da:	2.2
IP(EA), eV:	-9.01(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-naphthalen-1-ylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]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(=C6)C8=CN=C(C=C8)C9=CC=CC=C9

DOS

IR

Vibrations