Geometry & MOs

Info

ID:	352271
PubChem CID:	127283355
Reduced:	O3N5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-62.3
Dipole, Da:	2.11
IP(EA), eV:	-8.94(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-1-methylpyridin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NC2=CC=CC(=C2O1)C(=O)NC3CCCN(C3)C4=NC=CC=N4

DOS

IR

Vibrations