Geometry & MOs

Info

ID:	83319
PubChem CID:	49857446
Reduced:	O5C21H32 (1)
Stoich.:	A5B21C32 (1)
Weight, g/mol:	322.214409
ΔH_f, kcal/mol:	-251.26
Dipole, Da:	2.78
IP(EA), eV:	-9.93(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,4aS,8aS)-1-(4-hydroxy-3-oxobutyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OCC(=O)CC[C@H]1C(=CC[C@@H]2[C@@]1(CCCC2(C)C)C)C(=O)OC

DOS

IR

Vibrations