Geometry & MOs

Info

ID:	260706
PubChem CID:	103200826
Reduced:	N3O3C11H11 (1)
Stoich.:	A3B3C11D11 (1)
Weight, g/mol:	282.111676
ΔH_f, kcal/mol:	-58.0
Dipole, Da:	7.22
IP(EA), eV:	-9.98(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[7-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetate

Drug info:

PubChemData

Smile

C1COCC1C2=CC=NC3=NC(=CN23)C(=O)O

DOS

IR

Vibrations