Geometry & MOs

Info

ID:	335706
PubChem CID:	127254568
Reduced:	N4O4H20C21 (1)
Stoich.:	A4B4C20D21 (1)
Weight, g/mol:	331.16444
ΔH_f, kcal/mol:	-5.12
Dipole, Da:	8.59
IP(EA), eV:	-8.78(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C2=CC=NC3=NC(=NN23)COC4=CC=CC=C4)OC)OC

DOS

IR

Vibrations