Geometry & MOs

Info

ID:	83075
PubChem CID:	49857117
Reduced:	OC8H12 (3)
Stoich.:	AB8C12 (3)
Weight, g/mol:	372.266445
ΔH_f, kcal/mol:	-167.52
Dipole, Da:	2.52
IP(EA), eV:	-9.98(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3aR,4S,7aR)-1-[(2R,6R)-6-hydroxyheptan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl] benzoate

Drug info:

PubChemData

Smile

C[C@@H](CCC[C@H](C)O)[C@H]1CC[C@@H]2[C@@]1(CCC[C@@H]2OC(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations