Geometry & MOs

Info

ID:	367573
PubChem CID:	127325031
Reduced:	SN3O4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-121.43
Dipole, Da:	13.43
IP(EA), eV:	-8.45(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylmorpholin-4-yl)-(4,5-dimethyl-1H-pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C1C=CC(=C2)NS(=O)(=O)C3=CC4=C(CCN4C(=O)C)C=C3

DOS

IR

Vibrations