Geometry & MOs

Info

ID:	399323
PubChem CID:	135039631
Reduced:	OC15H16 (1)
Stoich.:	AB15C16 (1)
Weight, g/mol:	253.955783
ΔH_f, kcal/mol:	-15.51
Dipole, Da:	1.27
IP(EA), eV:	-8.27(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3,4,5,6-pentafluorophenyl)prop-2-ynoyl chloride

Drug info:

PubChemData

Smile

CC1CC2=C(C(=CO2)C)C3=C1C=C(C=C3)C

DOS

IR

Vibrations