Geometry & MOs

Info

ID:	34125
PubChem CID:	7889950
Reduced:	N2F3O3C13H13 (1)
Stoich.:	A2B3C3D13E13 (1)
Weight, g/mol:	419.145676
ΔH_f, kcal/mol:	-247.88
Dipole, Da:	3.22
IP(EA), eV:	-10.0(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]propanamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)NC(=O)COC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations