Geometry & MOs

Info

ID:

406445

PubChem CID:

135077657

Reduced:

NO2C10H10 (1)

Stoich.:

AB2C10D10 (1)

Weight, g/mol:

218.105528

ΔHf, kcal/mol:

-10.84

Dipole, Da:

1.3

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.788694

Charge, e:

 0

Chem-info

IUPAC name:

8-methoxy-2,5,6,7,8,9-hexahydropyrido[4,3-b]indol-1-one

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC=CC=C1)[N+]#C

DOS

IR

Vibrations