Geometry & MOs

Info

ID:	18629
PubChem CID:	544844
Reduced:	O2F3N3H12C13 (1)
Stoich.:	A2B3C3D12E13 (1)
Weight, g/mol:	299.088161
ΔH_f, kcal/mol:	-175.77
Dipole, Da:	5.58
IP(EA), eV:	-9.02(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(F)(F)F

DOS

IR

Vibrations