Geometry & MOs

Info

ID:	345214
PubChem CID:	127268974
Reduced:	SO2N4C13H20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	307.200825
ΔH_f, kcal/mol:	-55.73
Dipole, Da:	5.67
IP(EA), eV:	-8.59(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]piperidin-2-one

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)NCC2=CN=C(S2)N3CCOCC3

DOS

IR

Vibrations