Geometry & MOs

Info

ID:	310254
PubChem CID:	126577412
Reduced:	NO3C21H33 (1)
Stoich.:	AB3C21D33 (1)
Weight, g/mol:	190.096694
ΔH_f, kcal/mol:	-151.4
Dipole, Da:	2.71
IP(EA), eV:	-9.02(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-(5-methyl-2H-triazol-4-yl)pyrazin-2-amine

Drug info:

PubChemData

Smile

CCCOCCOC1CCC2=C(C1)C=CC(=C2)[C@H]3CC[C@@](C3)(CO)N

DOS

IR

Vibrations