Geometry & MOs

Info

ID:	273045
PubChem CID:	103770381
Reduced:	NF3O3C12H14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	245.097583
ΔH_f, kcal/mol:	-264.46
Dipole, Da:	5.17
IP(EA), eV:	-9.34(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations