Geometry & MOs

Info

ID:	19305
PubChem CID:	560602
Reduced:	O2C7H12 (2)
Stoich.:	A2B7C12 (2)
Weight, g/mol:	256.167459
ΔH_f, kcal/mol:	-189.13
Dipole, Da:	4.14
IP(EA), eV:	-9.88(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyethoxymethoxy)-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-one

Drug info:

PubChemData

Smile

CC12CCC(=O)CC1CCC2OCOCCOC

DOS

IR

Vibrations