Geometry & MOs

Info

ID:	285418
PubChem CID:	104104310
Reduced:	O2N3C9H11 (1)
Stoich.:	A2B3C9D11 (1)
Weight, g/mol:	185.141579
ΔH_f, kcal/mol:	1.86
Dipole, Da:	5.28
IP(EA), eV:	-9.37(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-1-(oxazinan-2-yl)butan-1-one

Drug info:

PubChemData

Smile

C1CCON(C1)C(=O)C2=NC=CN=C2

DOS

IR

Vibrations