Geometry & MOs

Info

ID:	426442
PubChem CID:	135144182
Reduced:	ON4H26C43 (1)
Stoich.:	AB4C26D43 (1)
Weight, g/mol:	599.236148
ΔH_f, kcal/mol:	206.41
Dipole, Da:	1.9
IP(EA), eV:	-8.76(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-naphthalen-1-ylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=CC=CC=C4C5=C3C=C(C=C5)C6=CC7=CC=CC=C7C=C6)C8=C9C1=CC=CC=C1OC9=CC=C8

DOS

IR

Vibrations