Geometry & MOs

Info

ID:	355188
PubChem CID:	127288120
Reduced:	O3N4C18H24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	339.134969
ΔH_f, kcal/mol:	-84.95
Dipole, Da:	2.94
IP(EA), eV:	-9.16(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-6-(1,4-dioxan-2-ylmethylamino)pyridin-3-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CCNC(=O)C2=C(C3=C(N2)CC(CC3=O)(C)C)C

DOS

IR

Vibrations