Geometry & MOs

Info

ID:	147836
PubChem CID:	53787494
Reduced:	ON3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	210.046299
ΔH_f, kcal/mol:	-46.96
Dipole, Da:	4.32
IP(EA), eV:	-9.13(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-aminoethyl]-5-methylthieno[2,3-d][1,3]oxazin-4-one

Drug info:

PubChemData

Smile

CN1C(CNC1=O)C2CCNCC2

DOS

IR

Vibrations