Geometry & MOs

Info

ID:

313014

PubChem CID:

126610768

Reduced:

BrNOH10C13 (1)

Stoich.:

ABCD10E13 (1)

Weight, g/mol:

478.293054

ΔHf, kcal/mol:

27.74

Dipole, Da:

2.64

IP(EA), eV:

 -9.48(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4aS,6R)-1,4a-dimethyl-3'-methylidene-5-prop-2-enylspiro[3,4,5,7,8,8a-hexahydro-2H-naphthalene-6,1'-cyclopentane]-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)C(=N)C2=CC(=CC=C2)Br

DOS

IR

Vibrations