Geometry & MOs

Info

ID:	328271
PubChem CID:	126700488
Reduced:	NH7C9 (5)
Stoich.:	AB7C9 (5)
Weight, g/mol:	596.203468
ΔH_f, kcal/mol:	218.17
Dipole, Da:	1.05
IP(EA), eV:	-8.06(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-(3-carbazol-9-ylphenyl)-1,2,3,4-tetrahydropyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole

Drug info:

PubChemData

Smile

C1C=CC(=CC1N2C3=CC=CC=C3C4=C2C=C5C(=C4)C6=CC=CC=C6N5C7=CC=CC=C7)C8NC(N=C(N8)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations