Geometry & MOs

Info

ID:	272758
PubChem CID:	103755818
Reduced:	N2F3O3C11H13 (1)
Stoich.:	A2B3C3D11E13 (1)
Weight, g/mol:	327.004068
ΔH_f, kcal/mol:	-300.33
Dipole, Da:	7.63
IP(EA), eV:	-9.65(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,5-dichlorophenyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)C(=O)NCC(C(F)(F)F)O)C

DOS

IR

Vibrations