Geometry & MOs

Info

ID:	426104
PubChem CID:	135137885
Reduced:	OSN5C18H21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	23.63
Dipole, Da:	3.24
IP(EA), eV:	-8.72(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[3-(1-methylpyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine

Drug info:

PubChemData

Smile

CC(=O)NC1=NC=C(S1)CN2CCC(CC2)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations