Geometry & MOs

Info

ID:	13308
PubChem CID:	225200
Reduced:	O4H14C17 (1)
Stoich.:	A4B14C17 (1)
Weight, g/mol:	282.089209
ΔH_f, kcal/mol:	-75.83
Dipole, Da:	2.81
IP(EA), eV:	-8.87(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)C=CC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations