Geometry & MOs

Info

ID:	16379
PubChem CID:	466244
Reduced:	OH3C4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	268.073559
ΔH_f, kcal/mol:	-77.76
Dipole, Da:	2.98
IP(EA), eV:	-8.98(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C=CC(=O)C3=CC(=CC=C3)O

DOS

IR

Vibrations