Geometry & MOs

Info

ID:	344265
PubChem CID:	127267441
Reduced:	N3O3C17H19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	311.184506
ΔH_f, kcal/mol:	-83.17
Dipole, Da:	1.87
IP(EA), eV:	-8.89(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-methyl-5-[(2-pentoxyacetyl)amino]pyrazol-1-yl]acetate

Drug info:

PubChemData

Smile

CN1C=NC=C1CC(=O)N2C(CC3=CC=CC=C32)CC(=O)OC

DOS

IR

Vibrations