Geometry & MOs

Info

ID:

46829

PubChem CID:

10527678

Reduced:

NO7C24H39 (1)

Stoich.:

AB7C24D39 (1)

Weight, g/mol:

453.262757

ΔHf, kcal/mol:

-341.96

Dipole, Da:

4.94

IP(EA), eV:

 -9.6(0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[(6aR,9S)-4-ethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl-(2-ethoxy-2-oxoethyl)amino]acetate

Drug info:

PubChemData

Smile

CCCNC(=O)O[C@H]1[C@@H]2[C@]([C@H](CCC2(C)C)O)([C@]3(C(=O)C[C@](O[C@@]3([C@H]1O)C)(C)C=C)O)C

DOS

IR

Vibrations