Geometry & MOs

Info

ID:	375950
PubChem CID:	134221947
Reduced:	O2F3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	385.049269
ΔH_f, kcal/mol:	-251.6
Dipole, Da:	7.21
IP(EA), eV:	-9.5(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(3-chloro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]-2-fluoro-N-oxobenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C(F)(F)F)O)CCCO

DOS

IR

Vibrations