Geometry & MOs

Info

ID:	169402
PubChem CID:	75101388
Reduced:	ClO2N3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	390.274324
ΔH_f, kcal/mol:	-38.88
Dipole, Da:	5.54
IP(EA), eV:	-9.46(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1C2C(CN1CC3=CC=CC=N3)OC(=O)N2CCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations