Geometry & MOs

Info

ID:

391755

PubChem CID:

135009247

Reduced:

O4H28C47 (1)

Stoich.:

A4B28C47 (1)

Weight, g/mol:

319.190934

ΔHf, kcal/mol:

141.49

Dipole, Da:

8.06

IP(EA), eV:

 -8.57(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

1-[(1S,5R)-1-(2,5-dimethoxy-4-methylphenyl)-2,2-dimethyl-6-oxoniabicyclo[3.2.0]heptan-6-yl]ethanone

Drug info:

PubChemData

Smile

CCOC(=O)C1(C2[C@]13C4CCC5C6CC=C7C8=C9C1=C(C=C8)C8=C%10C1=C1C%11=C%12C(=C3C3=C%11C%10=C(C3C2)C=C8)C4=C5C2=C6C7=C9C1=C2%12)C(=O)OCC

DOS

IR

Vibrations