Geometry & MOs

Info

ID:	215983
PubChem CID:	85085538
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	208.109944
ΔH_f, kcal/mol:	-123.91
Dipole, Da:	3.56
IP(EA), eV:	-9.86(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-methyl-6-oxo-4,5,7,7a-tetrahydro-3H-indene-3a-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C12CCC(C1=O)C(C=C2)C

DOS

IR

Vibrations