Geometry & MOs

Info

ID:	204666
PubChem CID:	79995487
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	265.088498
ΔH_f, kcal/mol:	12.92
Dipole, Da:	3.15
IP(EA), eV:	-8.52(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-benzoxazol-6-amine

Drug info:

PubChemData

Smile

CCCCN(CC1=NC2=C(O1)C=C(C=C2)N)C3CC3

DOS

IR

Vibrations