Geometry & MOs

Info

ID:	333801
PubChem CID:	127252353
Reduced:	SO3N5C19H21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	-19.91
Dipole, Da:	4.71
IP(EA), eV:	-8.51(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridin-2-yl]morpholin-4-yl]-2-phenoxyethanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1)NC2=CC=CC(=N2)C3CN(CCO3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations