Geometry & MOs

Info

ID:	248376
PubChem CID:	103081143
Reduced:	NOF6C12H13 (1)
Stoich.:	ABC6D12E13 (1)
Weight, g/mol:	281.133969
ΔH_f, kcal/mol:	-332.17
Dipole, Da:	2.33
IP(EA), eV:	-9.82(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-difluoroethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1C(F)(F)F)F)CNCCOCC(F)F

DOS

IR

Vibrations