Geometry & MOs

Info

ID:	132211
PubChem CID:	51322169
Reduced:	N3O4C20H23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-80.64
Dipole, Da:	2.3
IP(EA), eV:	-8.41(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2=N/C(=C/C3=C(N(N=C3C)C)C)/C(=O)O2)OCC

DOS

IR

Vibrations