Geometry & MOs

Info

ID:	126353
PubChem CID:	50961470
Reduced:	ON2C8H14 (2)
Stoich.:	AB2C8D14 (2)
Weight, g/mol:	338.13789
ΔH_f, kcal/mol:	-89.28
Dipole, Da:	5.73
IP(EA), eV:	-9.06(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-3-methyl-4,5-dihydro-2H-[1,2]oxazolo[5,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CCCC(C1=NC=CN1C)NC2CCN(CC2)C(=O)OCC

DOS

IR

Vibrations