Geometry & MOs

Info

ID:	250276
PubChem CID:	103095297
Reduced:	SN3O3C10H15 (1)
Stoich.:	AB3C3D10E15 (1)
Weight, g/mol:	247.154544
ΔH_f, kcal/mol:	-40.66
Dipole, Da:	9.41
IP(EA), eV:	-9.17(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-diethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-triazin-3-amine

Drug info:

PubChemData

Smile

CC(C1CCN(CC1)C2=NC=C(S2)[N+](=O)[O-])O

DOS

IR

Vibrations