Geometry & MOs

Info

ID:	80761
PubChem CID:	49836658
Reduced:	IO2C11H17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	376.08993
ΔH_f, kcal/mol:	-108.16
Dipole, Da:	3.98
IP(EA), eV:	-9.88(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,4aR,6S,8aS)-6-iodo-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate

Drug info:

PubChemData

Smile

C[C@]12CC[C@@H](C([C@@H]1CC(=O)O2)(C)C)I

DOS

IR

Vibrations