Geometry & MOs

Info

ID:	363150
PubChem CID:	127310183
Reduced:	SO3N4C18H26 (1)
Stoich.:	AB3C4D18E26 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	-76.03
Dipole, Da:	7.8
IP(EA), eV:	-9.05(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(4-methylpiperidin-1-yl)pyridin-3-yl]-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)C3CSCN3C(=O)C4CCC4

DOS

IR

Vibrations