Geometry & MOs

Info

ID:	48167
PubChem CID:	10537636
Reduced:	O4C13H14 (1)
Stoich.:	A4B13C14 (1)
Weight, g/mol:	234.125594
ΔH_f, kcal/mol:	-133.32
Dipole, Da:	4.14
IP(EA), eV:	-9.54(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aS,9aR)-8,8-dimethyl-2-oxo-1,4,6,6a,7,9-hexahydropentaleno[1,6a-c]pyran-5-carbaldehyde

Drug info:

PubChemData

Smile

CCOC(=O)[C@@]12C=CC=CC=C1[C@@H](OC2=O)C

DOS

IR

Vibrations