Geometry & MOs

Info

ID:	353021
PubChem CID:	127284171
Reduced:	OSN6C17H20 (1)
Stoich.:	ABC6D17E20 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	67.12
Dipole, Da:	4.87
IP(EA), eV:	-8.92(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)N(N=N4)C

DOS

IR

Vibrations