Geometry & MOs

Info

ID:	273077
PubChem CID:	103770450
Reduced:	F2N2O2H12C13 (1)
Stoich.:	A2B2C2D12E13 (1)
Weight, g/mol:	309.01349
ΔH_f, kcal/mol:	-124.18
Dipole, Da:	3.32
IP(EA), eV:	-10.14(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,6-dichlorophenyl)-N-(3,3-difluoro-2-hydroxypropyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C(=O)NCC(C(F)F)O)C#N

DOS

IR

Vibrations