Geometry & MOs

Info

ID:	69645
PubChem CID:	47205080
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	-52.65
Dipole, Da:	5.36
IP(EA), eV:	-8.78(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCC2=CC=NN2)OC

DOS

IR

Vibrations