Geometry & MOs

Info

ID:	171896
PubChem CID:	75438792
Reduced:	OF3N4H13C15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	303.099475
ΔH_f, kcal/mol:	-89.64
Dipole, Da:	4.54
IP(EA), eV:	-8.58(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=CO2)CNC3=CN(N=C3)CC(F)(F)F

DOS

IR

Vibrations