Geometry & MOs

Info

ID:	260711
PubChem CID:	103201084
Reduced:	O2N5C10H11 (1)
Stoich.:	A2B5C10D11 (1)
Weight, g/mol:	207.075625
ΔH_f, kcal/mol:	-1.28
Dipole, Da:	8.69
IP(EA), eV:	-9.82(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-(aminomethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid

Drug info:

PubChemData

Smile

C1CNCC2=C1N3C(=NC(=N3)CC(=O)O)N=C2

DOS

IR

Vibrations