Geometry & MOs

Info

ID:	401812
PubChem CID:	135052729
Reduced:	PSN2O5C19H25 (1)
Stoich.:	ABC2D5E19F25 (1)
Weight, g/mol:	268.109944
ΔH_f, kcal/mol:	-216.75
Dipole, Da:	8.43
IP(EA), eV:	-8.88(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-methoxy-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

CCOP(=O)(C/C(=N\NS(=O)(=O)C1=CC=C(C=C1)C)/C2=CC=CC=C2)OCC

DOS

IR

Vibrations