Geometry & MOs

Info

ID:	285165
PubChem CID:	104098439
Reduced:	ON6C12H16 (1)
Stoich.:	AB6C12D16 (1)
Weight, g/mol:	220.107259
ΔH_f, kcal/mol:	52.5
Dipole, Da:	4.79
IP(EA), eV:	-9.38(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[2-(triazol-1-yl)ethylamino]pyrazin-2-one

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=NC=CC(=C1)NCCN2C=CN=N2

DOS

IR

Vibrations