Geometry & MOs

Info

ID:	225488
PubChem CID:	85852511
Reduced:	C2F2H3 (1)
Stoich.:	A2B2C3 (1)
Weight, g/mol:	360.03611
ΔH_f, kcal/mol:	-76.98
Dipole, Da:	0.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753558
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-hydroxy-4-propoxyphenyl)-3-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

C([CH+]F)F

DOS

IR

Vibrations