Geometry & MOs

Info

ID:

225826

PubChem CID:

87226486

Reduced:

NO6C10H11 (1)

Stoich.:

AB6C10D11 (1)

Weight, g/mol:

420.371579

ΔHf, kcal/mol:

-201.83

Dipole, Da:

3.96

IP(EA), eV:

 -10.6(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(NE)-N-[(3R,3aR,5aS,6R,9aS,9bS)-9-(hydroxyamino)-3a,6-dimethyl-3-[(2R)-6-methylheptan-2-yl]-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-ylidene]hydroxylamine

Drug info:

PubChemData

Smile

C=C(CCC(=O)O)C(=O)ON1C(=O)CCC1=O

DOS

IR

Vibrations