Geometry & MOs

Info

ID:	348473
PubChem CID:	127273584
Reduced:	O3N6C17H22 (1)
Stoich.:	A3B6C17D22 (1)
Weight, g/mol:	358.175339
ΔH_f, kcal/mol:	-53.52
Dipole, Da:	2.26
IP(EA), eV:	-8.72(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-acetylpiperazin-1-yl)-6-methoxypyridin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C2=C(C=CC(=N2)OC)NC(=O)C3=CC=NN3C

DOS

IR

Vibrations