Geometry & MOs

Info

ID:	350710
PubChem CID:	127278998
Reduced:	OSN2C9H13 (2)
Stoich.:	ABC2D9E13 (2)
Weight, g/mol:	360.190989
ΔH_f, kcal/mol:	-56.04
Dipole, Da:	2.86
IP(EA), eV:	-8.62(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NCCN3CCOCC3(C)C)C

DOS

IR

Vibrations