Geometry & MOs

Info

ID:	329014
PubChem CID:	126730486
Reduced:	N2H19C25 (2)
Stoich.:	A2B19C25 (2)
Weight, g/mol:	652.262697
ΔH_f, kcal/mol:	196.33
Dipole, Da:	4.45
IP(EA), eV:	-7.94(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-carbazol-9-yl-9-[4-[2-(2-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=C(C=C3)C)C4=CC(=C(C(=C4)C)N5C6=C(C=C(C=C6)N7C8=CC=CC=C8C9=CC=CC=C97)C1=CC=CC=C15)C

DOS

IR

Vibrations