Geometry & MOs

Info

ID:

311674

PubChem CID:

126596859

Reduced:

ON3H29C44 (1)

Stoich.:

AB3C29D44 (1)

Weight, g/mol:

609.278013

ΔHf, kcal/mol:

190.45

Dipole, Da:

3.66

IP(EA), eV:

 -8.32(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(4b-methyl-8aH-carbazol-9-yl)-4-(5-phenyl-6,7-dihydro-[1]benzofuro[2,3-g]carbazol-3-yl)cyclohexa-1,3-dien-1-amine

Drug info:

PubChemData

Smile

CC12C(C=CC3=C1OC4=CC=CC=C34)N(C5=C2C=CC(=C5)C6=C(C=CC(=C6)C#N)N7C8=CC=CC=C8C9=CC=CC=C97)C1=CC=CC=C1

DOS

IR

Vibrations