Geometry & MOs

Info

ID:	346906
PubChem CID:	127271410
Reduced:	SN3O3C20H25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	372.190989
ΔH_f, kcal/mol:	-125.31
Dipole, Da:	2.15
IP(EA), eV:	-8.85(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C(C)NC(=O)C23CCC(=O)N2C4=CC=CC=C4S3

DOS

IR

Vibrations