Geometry & MOs

Info

ID:	69607
PubChem CID:	47205016
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-63.54
Dipole, Da:	3.05
IP(EA), eV:	-8.7(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-pyrazol-5-ylmethyl)-2-(2,4,6-trimethylphenoxy)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OCC(=O)NCC2=CC=NN2

DOS

IR

Vibrations