Geometry & MOs

Info

ID:

186093

PubChem CID:

77389819

Reduced:

FN3O3C24H38 (1)

Stoich.:

AB3C3D24E38 (1)

Weight, g/mol:

492.262422

ΔHf, kcal/mol:

-203.1

Dipole, Da:

4.24

IP(EA), eV:

 -8.01(0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(cyclopropylmethyl)-4a,9-dihydroxy-4,12-dimethyl-2,4,5,6,7,7a-hexahydro-1H-[1]benzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CCC=C1C(N(C2=C1CC(CC2)F)C3CCN(CC3)C4CCN(CC4)C(=O)OCC)O

DOS

IR

Vibrations