Geometry & MOs

Info

ID:	331715
PubChem CID:	127249798
Reduced:	SO3N6C18H18 (1)
Stoich.:	AB3C6D18E18 (1)
Weight, g/mol:	408.190989
ΔH_f, kcal/mol:	-7.71
Dipole, Da:	3.09
IP(EA), eV:	-9.09(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[6-[(1,5-dimethylpyrazol-3-yl)amino]pyridin-2-yl]morpholine-4-carbonyl]-1-methylpyridin-2-one

Drug info:

PubChemData

Smile

CN1C=C(C=CC1=O)C(=O)N2CCOC(C2)C3=NC(=CC=C3)NC4=NN=CS4

DOS

IR

Vibrations