Geometry & MOs

Info

ID:	292007
PubChem CID:	114007562
Reduced:	O4N5C9H15 (1)
Stoich.:	A4B5C9D15 (1)
Weight, g/mol:	269.112404
ΔH_f, kcal/mol:	-130.79
Dipole, Da:	6.87
IP(EA), eV:	-10.15(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-2-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CN(CC1=NC=NN1)C(=O)NCCC(C(=O)O)O

DOS

IR

Vibrations