Geometry & MOs

Info

ID:

449018

PubChem CID:

135295239

Reduced:

NC9H10 (4)

Stoich.:

AB9C10 (4)

Weight, g/mol:

456.314064

ΔHf, kcal/mol:

175.83

Dipole, Da:

7.21

IP(EA), eV:

 -8.33(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-3-[3-(4-tert-butylphenyl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-4-methylpenta-2,4-dien-2-ol

Drug info:

PubChemData

Smile

C/C=C(\C=C\1/C(=C)C(CN1C(C2=CC=CC=N2)/C(=C/C=C\C=C)/C)/C(=C/C=C(\C)/C#N)/C=C)/C3=C(NC=C3C)C

DOS

IR

Vibrations