Geometry & MOs

Info

ID:	82198
PubChem CID:	49855748
Reduced:	O3C14H20 (1)
Stoich.:	A3B14C20 (1)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	-73.74
Dipole, Da:	2.06
IP(EA), eV:	-9.58(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (6R,7aS)-2,2,6-trimethyl-1,6,7,7a-tetrahydroindene-4-carboxylate

Drug info:

PubChemData

Smile

C/C=C/C#CC(C(C)(C)CC=C)OC(=O)OC

DOS

IR

Vibrations