Geometry & MOs

Info

ID:

400002

PubChem CID:

135044426

Reduced:

NO2C11H14 (1)

Stoich.:

AB2C11D14 (1)

Weight, g/mol:

278.072513

ΔHf, kcal/mol:

-67.95

Dipole, Da:

2.91

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.016923

Charge, e:

 0

Chem-info

IUPAC name:

9-methyl-2-methylsulfonyl-1,4-dihydropyrido[3,4-b]indol-3-one

Drug info:

PubChemData

Smile

CCOC(=O)[CH]NC1=CC=C(C=C1)C

DOS

IR

Vibrations