Geometry & MOs

Info

ID:	262126
PubChem CID:	103271913
Reduced:	FO3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	224.127326
ΔH_f, kcal/mol:	-64.54
Dipole, Da:	4.97
IP(EA), eV:	-9.25(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-ethyl-6-methyl-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2CCN=C3N2NC(=N3)C(=O)O)F

DOS

IR

Vibrations