Geometry & MOs

Info

ID:	305972
PubChem CID:	124976723
Reduced:	SO3N5C15H21 (1)
Stoich.:	AB3C5D15E21 (1)
Weight, g/mol:	303.169525
ΔH_f, kcal/mol:	-68.11
Dipole, Da:	9.03
IP(EA), eV:	-9.46(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethyl-5-methylpyrazol-3-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC2=CC=NN12)[C@H]3CCCCN3C(=O)CNS(=O)(=O)C

DOS

IR

Vibrations