Geometry & MOs

Info

ID:	410997
PubChem CID:	135083802
Reduced:	NO2C13H21 (1)
Stoich.:	AB2C13D21 (1)
Weight, g/mol:	267.966955
ΔH_f, kcal/mol:	-47.21
Dipole, Da:	2.31
IP(EA), eV:	-9.22(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dichloro-4,4,4-trifluoro-1-phenylbut-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OC)N(CC=C)CC#C

DOS

IR

Vibrations