Geometry & MOs

Info

ID:

310335

PubChem CID:

126578974

Reduced:

NH37C55 (1)

Stoich.:

AB37C55 (1)

Weight, g/mol:

712.287849

ΔHf, kcal/mol:

230.36

Dipole, Da:

1.94

IP(EA), eV:

 -8.82(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(4-phenylnaphthalen-2-yl)-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=CC7=CC=CC=C7C(=N6)C8=CC9=CC=CC=C9C(=C8)C1=CC=CC=C1

DOS

IR

Vibrations