Geometry & MOs

Info

ID:	280765
PubChem CID:	103851157
Reduced:	OF3N3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	281.133969
ΔH_f, kcal/mol:	-147.52
Dipole, Da:	2.8
IP(EA), eV:	-9.16(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNCC2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations