Geometry & MOs

Info

ID:

381227

PubChem CID:

134971892

Reduced:

N2O3C28H31 (1)

Stoich.:

A2B3C28D31 (1)

Weight, g/mol:

223.1361

ΔHf, kcal/mol:

-26.12

Dipole, Da:

1.68

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.272651

Charge, e:

 0

Chem-info

IUPAC name:

6,6,9-trimethyl-5H-phenanthridine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C=O)O)C[N+]23CCC(CC2C(C4=CC=NC5=CC=CC=C45)O)C(C3)C=C

DOS

IR

Vibrations