Geometry & MOs

Info

ID:	220249
PubChem CID:	85177025
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	234.125594
ΔH_f, kcal/mol:	-72.38
Dipole, Da:	8.53
IP(EA), eV:	-8.92(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=C2CCCC3N2C(=C1C(=O)C)CC3

DOS

IR

Vibrations