Geometry & MOs

Info

ID:

169156

PubChem CID:

75068341

Reduced:

OF4N5H25C26 (1)

Stoich.:

AB4C5D25E26 (1)

Weight, g/mol:

462.37091

ΔHf, kcal/mol:

-71.01

Dipole, Da:

4.82

IP(EA), eV:

 -8.98(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-methoxy-2-[1-[6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethyl]bicyclo[3.1.0]hexan-3-ol

Drug info:

PubChemData

Smile

CCON=C(C1=CC(=C(C=C1)F)F)C2=NC=C(C=C2)CN3CC4(C3)CN(C4)C5=CN=CC(=C5)C(F)F

DOS

IR

Vibrations