Geometry & MOs

Info

ID:	401845
PubChem CID:	135052930
Reduced:	OC4H4 (3)
Stoich.:	AB4C4 (3)
Weight, g/mol:	350.01933
ΔH_f, kcal/mol:	-66.5
Dipole, Da:	6.76
IP(EA), eV:	-9.49(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)chromenylium;perchlorate

Drug info:

PubChemData

Smile

CC(C)(C#CC(=O)C1=CC=CC=C1O)O

DOS

IR

Vibrations