Geometry & MOs

Info

ID:	376626
PubChem CID:	134222647
Reduced:	OPN3H28C38 (1)
Stoich.:	ABC3D28E38 (1)
Weight, g/mol:	564.231397
ΔH_f, kcal/mol:	126.82
Dipole, Da:	4.27
IP(EA), eV:	-8.94(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[3-[7-[3-(4-methyl-1,8-naphthyridin-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,8-naphthyridine

Drug info:

PubChemData

Smile

C1C=C(C=CC1C2=NC3=CC=CC=C3C4=NC5=CC=CC=C5N24)C6=CC=C(C=C6)P(=O)(C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations