Geometry & MOs

Info

ID:	271934
PubChem CID:	103702627
Reduced:	OSN3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	234.122909
ΔH_f, kcal/mol:	6.84
Dipole, Da:	0.82
IP(EA), eV:	-8.29(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-1-methylpyrazin-2-one

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNC2=NC=CN(C2=O)C

DOS

IR

Vibrations