Geometry & MOs

Info

ID:

414230

PubChem CID:

135087186

Reduced:

N4C13H13 (1)

Stoich.:

A4B13C13 (1)

Weight, g/mol:

256.121178

ΔHf, kcal/mol:

122.23

Dipole, Da:

4.6

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.007918

Charge, e:

 0

Chem-info

IUPAC name:

8-methoxy-5-propan-2-yloxy-9H-pyrido[2,3-b]indole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CC=CC=[N+]2C)N=[N+]=[N-]

DOS

IR

Vibrations