Geometry & MOs

Info

ID:	333449
PubChem CID:	127252001
Reduced:	ON5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	387.20591
ΔH_f, kcal/mol:	51.97
Dipole, Da:	1.96
IP(EA), eV:	-8.76(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-[(3-methylpyridin-2-yl)amino]pyridin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CN=C(C=C2)NC3=NC=CN=C3)CC4=CC=C(C=C4)O

DOS

IR

Vibrations