Geometry & MOs

Info

ID:	22107
PubChem CID:	596012
Reduced:	O3C10H10 (1)
Stoich.:	A3B10C10 (1)
Weight, g/mol:	178.062994
ΔH_f, kcal/mol:	-89.72
Dipole, Da:	4.79
IP(EA), eV:	-9.03(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1,3-benzodioxole-5-carbaldehyde

Drug info:

PubChemData

Smile

CC1(OC2=C(O1)C=C(C=C2)C=O)C

DOS

IR

Vibrations