Geometry & MOs

Info

ID:

307956

PubChem CID:

125310942

Reduced:

FN4O5H23C30 (1)

Stoich.:

AB4C5D23E30 (1)

Weight, g/mol:

385.298079

ΔHf, kcal/mol:

-113.8

Dipole, Da:

3.65

IP(EA), eV:

 -8.9(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,3aR,5R,8aR,9aS)-5,8a-dimethyl-3-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one

Drug info:

PubChemData

Smile

C1C(=C2C=CC=CC2=N1)C[C@H]3[C@@H]4[C@@H](C(=O)N(C4=O)CC5=CC6=C(C=C5)OCO6)[C@@]7(N3)C8=C(C=CC(=C8)F)NC7=O

DOS

IR

Vibrations