Geometry & MOs

Info

ID:	348465
PubChem CID:	127273576
Reduced:	SO3N5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	372.190989
ΔH_f, kcal/mol:	-77.71
Dipole, Da:	3.72
IP(EA), eV:	-8.56(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-acetylpiperazin-1-yl)-6-methoxypyridin-3-yl]-1,5-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)NC2=C(N=C(C=C2)OC)N3CCN(CC3)C(=O)C

DOS

IR

Vibrations