Geometry & MOs

Info

ID:	443651
PubChem CID:	135259668
Reduced:	O2H7C10 (2)
Stoich.:	A2B7C10 (2)
Weight, g/mol:	378.056195
ΔH_f, kcal/mol:	-63.25
Dipole, Da:	4.84
IP(EA), eV:	-8.8(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(1,3-benzodioxol-5-yl)thiophen-2-yl]-7-methoxychromen-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC=C(O2)C3=CC(=O)OC4=CC=CC=C43

DOS

IR

Vibrations