Geometry & MOs

Info

ID:	273000
PubChem CID:	103770072
Reduced:	NF2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	283.138385
ΔH_f, kcal/mol:	-225.66
Dipole, Da:	4.91
IP(EA), eV:	-9.06(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(=O)NCC(C(F)F)O

DOS

IR

Vibrations