Geometry & MOs

Info

ID:

412578

PubChem CID:

135085475

Reduced:

ON2C13H13 (1)

Stoich.:

AB2C13D13 (1)

Weight, g/mol:

235.990804

ΔHf, kcal/mol:

61.42

Dipole, Da:

2.53

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.318062

Charge, e:

 0

Chem-info

IUPAC name:

4,8-dichloro-9H-pyrido[2,3-b]indole

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C1[N+](=CC=C3)OC

DOS

IR

Vibrations