Geometry & MOs

Info

ID:

43609

PubChem CID:

10321540

Reduced:

O4C29H38 (1)

Stoich.:

A4B29C38 (1)

Weight, g/mol:

450.27701

ΔHf, kcal/mol:

-185.51

Dipole, Da:

4.94

IP(EA), eV:

 -9.82(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[(2R,6S,8aR)-6-[(4-methoxyphenyl)methoxy]-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)[C@H]2C[C@]3([C@H](CC[C@@]3(CCCO)O)[C@H]4[C@H]2[C@H]5CCC(=O)C=C5CC4)C

DOS

IR

Vibrations