Geometry & MOs

Info

ID:	329013
PubChem CID:	126730485
Reduced:	N2H17C24 (2)
Stoich.:	A2B17C24 (2)
Weight, g/mol:	694.309647
ΔH_f, kcal/mol:	213.67
Dipole, Da:	4.16
IP(EA), eV:	-8.0(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-2,6-dimethylphenyl]-3-carbazol-9-ylcarbazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations