Geometry & MOs

Info

ID:	412975
PubChem CID:	135085913
Reduced:	BSF3H5C6 (1)
Stoich.:	ABC3D5E6 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-177.48
Dipole, Da:	13.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.872884
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-3-prop-2-enoxypentan-2-one

Drug info:

PubChemData

Smile

[B-](/C=C/C1=CSC=C1)(F)(F)F

DOS

IR

Vibrations