Geometry & MOs

Info

ID:

376621

PubChem CID:

134222642

Reduced:

N3H17C28 (2)

Stoich.:

A3B17C28 (2)

Weight, g/mol:

564.231397

ΔHf, kcal/mol:

327.28

Dipole, Da:

0.47

IP(EA), eV:

 -8.95(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-methyl-2-[4-[7-[4-(4-methyl-1,8-naphthyridin-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,8-naphthyridine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C3=NC(=NC(=N3)C4=CC5=C(C=C4)C=CC(=C5)C6=NC(=NC(=N6)C7=CC=CC8=CC=CC=C87)C9=CC=CC1=CC=CC=C19)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations