Geometry & MOs

Info

ID:	69609
PubChem CID:	47205020
Reduced:	F2O2N3H11C12 (1)
Stoich.:	A2B2C3D11E12 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-124.95
Dipole, Da:	3.62
IP(EA), eV:	-9.83(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethylphenoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NCC2=CC=NN2)OC(F)F

DOS

IR

Vibrations