Geometry & MOs

Info

ID:	312223
PubChem CID:	126603655
Reduced:	SF3O5N7C34H40 (1)
Stoich.:	AB3C5D7E34F40 (1)
Weight, g/mol:	163.055718
ΔH_f, kcal/mol:	-285.36
Dipole, Da:	5.68
IP(EA), eV:	-8.64(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]hydroxylamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=C(N=C(S1)C2=CC=CC=C2C(F)(F)F)C(NC3=C(N(N=C3)C)N4CCC[C@H](CC4)NC(=O)OCC5=CC=CC=C5)O

DOS

IR

Vibrations