Geometry & MOs

Info

ID:	349766
PubChem CID:	127276158
Reduced:	O2N6C19H26 (1)
Stoich.:	A2B6C19D26 (1)
Weight, g/mol:	280.215078
ΔH_f, kcal/mol:	12.27
Dipole, Da:	7.11
IP(EA), eV:	-8.8(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-3-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(CC2)C(=O)CCC3=NC(=NO3)C4=NC=CC=N4

DOS

IR

Vibrations