Geometry & MOs

Info

ID:

225819

PubChem CID:

87226442

Reduced:

FN4H9C11 (1)

Stoich.:

AB4C9D11 (1)

Weight, g/mol:

413.365765

ΔHf, kcal/mol:

42.15

Dipole, Da:

2.21

IP(EA), eV:

 -8.74(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN2C3=C(C=C(C=C3)F)N=C([14C]2=C1)NN

DOS

IR

Vibrations