Geometry & MOs

Info

ID:

319543

PubChem CID:

126656587

Reduced:

ON3H33C49 (1)

Stoich.:

AB3C33D49 (1)

Weight, g/mol:

532.251464

ΔHf, kcal/mol:

195.37

Dipole, Da:

3.4

IP(EA), eV:

 -8.18(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4b-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N,12-diphenyl-11bH-[1]benzofuro[2,3-a]carbazol-5-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=C5C(=C6C(=C4)C7=CC=CC=C7O6)C8=CC=CC=C8N5C9=NC(=CC(=N9)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations