Geometry & MOs

Info

ID:	132212
PubChem CID:	51322219
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	-6.51
Dipole, Da:	6.64
IP(EA), eV:	-9.72(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethylpiperidin-1-yl)-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone

Drug info:

PubChemData

Smile

CCC1CCCCN1C(=O)C2=CC(=NC3=C2C(=NO3)C)C4CC4

DOS

IR

Vibrations