Geometry & MOs

Info

ID:	216070
PubChem CID:	85085667
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-129.3
Dipole, Da:	2.68
IP(EA), eV:	-9.77(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-6-propylidene-7,7a-dihydro-3aH-1,3-benzodioxole-5-carbaldehyde

Drug info:

PubChemData

Smile

CCOC(=O)C12CCCC(C1=O)C(=C)CC2

DOS

IR

Vibrations