Geometry & MOs

Info

ID:	311673
PubChem CID:	126596858
Reduced:	ON3H39C45 (1)
Stoich.:	AB3C39D45 (1)
Weight, g/mol:	615.231063
ΔH_f, kcal/mol:	189.64
Dipole, Da:	7.74
IP(EA), eV:	-7.77(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(12b-methyl-5-phenyl-5aH-[1]benzofuro[2,3-g]carbazol-3-yl)-4-carbazol-9-ylbenzonitrile

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)N(C3=CC=CC=C23)C4=C(C=CC=C4C5=CC6=C(C=C5)C7=C(N6C8=CCCC=C8)CCC9=C7OC1=C9C=CC(C1)C)C#N

DOS

IR

Vibrations