Geometry & MOs

Info

ID:	31116
PubChem CID:	854595
Reduced:	ClNO4H12C17 (1)
Stoich.:	ABC4D12E17 (1)
Weight, g/mol:	338.115424
ΔH_f, kcal/mol:	-55.56
Dipole, Da:	4.97
IP(EA), eV:	-8.69(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-7-methoxy-6-propylchromen-4-one

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)C3=CC(=NO)C4=C(O3)C=CC(=C4)Cl

DOS

IR

Vibrations