Geometry & MOs

Info

ID:	424103
PubChem CID:	135121323
Reduced:	N2O2C19H26 (1)
Stoich.:	A2B2C19D26 (1)
Weight, g/mol:	313.130553
ΔH_f, kcal/mol:	-81.18
Dipole, Da:	6.82
IP(EA), eV:	-8.99(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(7-amino-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)hexanoic acid;hydrochloride

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)C=CC=C2C(=O)O)CN[C@@H]3CN4CCC3CC4

DOS

IR

Vibrations