Geometry & MOs

Info

ID:	285348
PubChem CID:	104100836
Reduced:	O2N4C9H14 (1)
Stoich.:	A2B4C9D14 (1)
Weight, g/mol:	211.106925
ΔH_f, kcal/mol:	-11.83
Dipole, Da:	3.44
IP(EA), eV:	-8.46(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-1,2,4-triazol-1-yl)-1-(oxazinan-2-yl)ethanone

Drug info:

PubChemData

Smile

C1CCON(C1)C(=O)CN2C=C(C=N2)N

DOS

IR

Vibrations