Geometry & MOs

Info

ID:	298932
PubChem CID:	117664403
Reduced:	ON6C18H22 (1)
Stoich.:	AB6C18D22 (1)
Weight, g/mol:	468.26376
ΔH_f, kcal/mol:	33.26
Dipole, Da:	7.26
IP(EA), eV:	-8.47(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-(4-methylpiperidin-1-yl)pyridin-2-yl]-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole

Drug info:

PubChemData

Smile

CC(C#N)C(=O)N1C[C@H]2CC(C[C@H]2C1)N(C)C3=NC=NC4=C3C=CN4

DOS

IR

Vibrations