Geometry & MOs

Info

ID:	29128
PubChem CID:	831760
Reduced:	N2F3O3C14H17 (1)
Stoich.:	A2B3C3D14E17 (1)
Weight, g/mol:	287.068175
ΔH_f, kcal/mol:	-248.75
Dipole, Da:	2.78
IP(EA), eV:	-9.59(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(=O)N2[C@](CC(=N2)C(F)(F)F)(C(C)(C)C)O

DOS

IR

Vibrations