Geometry & MOs

Info

ID:	423651
PubChem CID:	135119945
Reduced:	O2N3C25H31 (1)
Stoich.:	A2B3C25D31 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-55.59
Dipole, Da:	3.54
IP(EA), eV:	-8.69(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-2-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1H-pyridin-4-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CN=C(C=C2)N3C[C@H]4CCC[C@@]([C@H]4C3)(C5=CC=CC=C5)O

DOS

IR

Vibrations