Geometry & MOs

Info

ID:	398733
PubChem CID:	135035141
Reduced:	O8H22C25 (1)
Stoich.:	A8B22C25 (1)
Weight, g/mol:	360.084517
ΔH_f, kcal/mol:	-196.73
Dipole, Da:	5.75
IP(EA), eV:	-8.81(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[6-(hydroxymethyl)-4-methoxy-1,3-benzodioxol-5-yl]-7-methoxy-1,3-benzodioxole-5-carbaldehyde

Drug info:

PubChemData

Smile

COC1=C(C(=CC2=C1OCO2)COCC3=CC=CC=C3)C4=C(C5=C(C=C4C=O)OCO5)OC

DOS

IR

Vibrations