Geometry & MOs

Info

ID:	260700
PubChem CID:	103200429
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	288.041403
ΔH_f, kcal/mol:	-15.57
Dipole, Da:	4.52
IP(EA), eV:	-9.05(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2CN=C3N=C(NN3C2)C(=O)OC

DOS

IR

Vibrations