Geometry & MOs

Info

ID:	449054
PubChem CID:	135295590
Reduced:	OSN2C24H32 (1)
Stoich.:	ABC2D24E32 (1)
Weight, g/mol:	550.215747
ΔH_f, kcal/mol:	-17.5
Dipole, Da:	2.13
IP(EA), eV:	-8.26(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[3-(5-carbazol-9-yl-3-methylcyclohexa-1,5-dien-1-yl)-5-cyanophenyl]carbazole-3-carbonitrile

Drug info:

PubChemData

Smile

CC1(CCC(CC1)N(CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O)SC)C

DOS

IR

Vibrations