Geometry & MOs

Info

ID:	381784
PubChem CID:	134972613
Reduced:	O3C20H32 (1)
Stoich.:	A3B20C32 (1)
Weight, g/mol:	278.188195
ΔH_f, kcal/mol:	-166.76
Dipole, Da:	5.14
IP(EA), eV:	-9.63(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,5S,8aS)-1,5,6-trimethyl-5-(2-oxoethyl)-2,3,6,7,8,8a-hexahydronaphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CC1CC[C@H]2C(=CCC[C@]2(C)C(=O)O)[C@@]1(C)CC/C(=C/CO)/C

DOS

IR

Vibrations