Geometry & MOs

Info

ID:	394665
PubChem CID:	135023465
Reduced:	O3C8H12 (2)
Stoich.:	A3B8C12 (2)
Weight, g/mol:	279.087099
ΔH_f, kcal/mol:	-240.38
Dipole, Da:	5.77
IP(EA), eV:	-9.61(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,4-trifluoro-1-phenyl-2-pyridin-3-ylbutan-1-one

Drug info:

PubChemData

Smile

CC(=C[C@@H]([C@H](C=C)OCOC)OC(=O)/C(=C/CC(=O)O)/C)C

DOS

IR

Vibrations