Geometry & MOs

Info

ID:

43824

PubChem CID:

10321843

Reduced:

OC10H16 (3)

Stoich.:

AB10C16 (3)

Weight, g/mol:

456.371579

ΔHf, kcal/mol:

-203.86

Dipole, Da:

3.53

IP(EA), eV:

 -9.2(0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,3aS,3bS,9aR,9bS,11aS)-N,N-diethyl-5-hexyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC2(CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CCC(C5(C)C)O)C)C)C2C1C(=O)O)C)C

DOS

IR

Vibrations