Geometry & MOs

Info

ID:	374287
PubChem CID:	131326207
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	193.059974
ΔH_f, kcal/mol:	-24.63
Dipole, Da:	2.51
IP(EA), eV:	-8.15(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-aminotriazolo[1,5-a]pyrimidine-3-carboxylate

Drug info:

PubChemData

Smile

CCCC1=CC(=C(O1)N2CCN(CC2)C)N

DOS

IR

Vibrations