Geometry & MOs

Info

ID:	365812
PubChem CID:	127318543
Reduced:	O2N5C20H25 (1)
Stoich.:	A2B5C20D25 (1)
Weight, g/mol:	349.236542
ΔH_f, kcal/mol:	-23.99
Dipole, Da:	6.9
IP(EA), eV:	-8.68(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpiperidin-1-yl)-2-[4-(7-oxabicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC2C(CC1O2)C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5C(=N4)N

DOS

IR

Vibrations