Geometry & MOs

Info

ID:	171321
PubChem CID:	75359474
Reduced:	FOH13C16 (1)
Stoich.:	ABC13D16 (1)
Weight, g/mol:	282.125594
ΔH_f, kcal/mol:	-25.64
Dipole, Da:	3.59
IP(EA), eV:	-9.5(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,5-dimethoxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)/C=C/C2=CC=CC=C2F

DOS

IR

Vibrations