Geometry & MOs

Info

ID:	348472
PubChem CID:	127273583
Reduced:	SO3N5C17H21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	358.175339
ΔH_f, kcal/mol:	-60.63
Dipole, Da:	3.24
IP(EA), eV:	-8.37(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-acetylpiperazin-1-yl)-6-methoxypyridin-3-yl]-2-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(S1)C(=O)NC2=C(N=C(C=C2)OC)N3CCN(CC3)C(=O)C

DOS

IR

Vibrations