Geometry & MOs

Info

ID:

311672

PubChem CID:

126596857

Reduced:

S2N3H23C38 (1)

Stoich.:

A2B3C23D38 (1)

Weight, g/mol:

637.309313

ΔHf, kcal/mol:

217.93

Dipole, Da:

6.55

IP(EA), eV:

 -8.45(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(5-cyclohexa-1,5-dien-1-yl-10-methyl-6,7,10,11-tetrahydro-[1]benzofuro[2,3-g]carbazol-3-yl)-2-(2-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)benzonitrile

Drug info:

PubChemData

Smile

C1CC2=C(C=C1C#N)C3=C(S2)C=C4C(=C3)C5=C(S4)C=CC(=C5)C6CC=CC(=C6N7C8=CC=CC=C8C9=CC=CC=C97)C#N

DOS

IR

Vibrations