Geometry & MOs

Info

ID:	71009
PubChem CID:	48414174
Reduced:	FION3H11C12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	265.103811
ΔH_f, kcal/mol:	-17.57
Dipole, Da:	0.55
IP(EA), eV:	-9.51(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=C(C=C(C=C2)F)I

DOS

IR

Vibrations