Geometry & MOs

Info

ID:	255303
PubChem CID:	103131250
Reduced:	N3F4C13H13 (1)
Stoich.:	A3B4C13D13 (1)
Weight, g/mol:	301.12021
ΔH_f, kcal/mol:	-138.14
Dipole, Da:	3.0
IP(EA), eV:	-9.33(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-fluoro-2-(trifluoromethyl)phenyl]-(1-methylpyrazol-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CNC(C1=NN(C=C1)C)C2=C(C=CC(=C2)F)C(F)(F)F

DOS

IR

Vibrations