Geometry & MOs

Info

ID:

176885

PubChem CID:

76107943

Reduced:

ClNSO2C24H27 (1)

Stoich.:

ABCD2E24F27 (1)

Weight, g/mol:

337.215413

ΔHf, kcal/mol:

-50.13

Dipole, Da:

4.12

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.130217

Charge, e:

 0

Chem-info

IUPAC name:

N,N-diethyl-7,9-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC[N+]12CCC(CC1C23C4=CC=CC=C4CSC5=C3C=C(C=C5)Cl)C(=O)OCC

DOS

IR

Vibrations