Geometry & MOs

Info

ID:	69646
PubChem CID:	47205081
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	245.116427
ΔH_f, kcal/mol:	-54.48
Dipole, Da:	3.64
IP(EA), eV:	-8.92(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCC(=O)NCC2=CC=NN2

DOS

IR

Vibrations