Geometry & MOs

Info

ID:

234349

PubChem CID:

92298237

Reduced:

N2O3C16H20 (2)

Stoich.:

A2B3C16D20 (2)

Weight, g/mol:

614.303224

ΔHf, kcal/mol:

-163.98

Dipole, Da:

2.52

IP(EA), eV:

 -9.07(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(6R,8aS,10aR)-8a-(4-benzoyloxy-2-hydroxyphenyl)-4',6-dimethylspiro[5,6,7,8,9,10a-hexahydroanthracene-10,1'-cyclohexane]-2-yl] benzoate

Drug info:

PubChemData

Smile

CC1CCC(=NNC(=O)C2=CC=C(C=C2)O[C@@H]3[C@@H](OCCO3)OC4=CC=C(C=C4)C(=O)NN=C5CCC(CC5)C)CC1

DOS

IR

Vibrations