Geometry & MOs

Info

ID:	442441
PubChem CID:	135252101
Reduced:	N2H20C29 (1)
Stoich.:	A2B20C29 (1)
Weight, g/mol:	567.217144
ΔH_f, kcal/mol:	141.56
Dipole, Da:	1.99
IP(EA), eV:	-8.06(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-methyl-5-(9-pyrimidin-2-ylcarbazol-1-yl)pyrrol-2-yl]-9-pyrimidin-2-ylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C(=CC=C4)C5=CC=CC=C5C6=CC=CC=N6

DOS

IR

Vibrations