Geometry & MOs

Info

ID:	422669
PubChem CID:	135118220
Reduced:	ON4C19H26 (1)
Stoich.:	AB4C19D26 (1)
Weight, g/mol:	341.185175
ΔH_f, kcal/mol:	-0.58
Dipole, Da:	4.79
IP(EA), eV:	-9.05(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

morpholin-4-yl-[6-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CN=CN1)C(=O)CC2CCC3=CC=CC=C23

DOS

IR

Vibrations