Geometry & MOs

Info

ID:	71045
PubChem CID:	48414216
Reduced:	FO2N4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	313.103811
ΔH_f, kcal/mol:	-84.4
Dipole, Da:	6.48
IP(EA), eV:	-8.96(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)NCC3=C(NN=C3)C)F

DOS

IR

Vibrations