Geometry & MOs

Info

ID:	207279
PubChem CID:	80370875
Reduced:	O3N4C9H14 (1)
Stoich.:	A3B4C9D14 (1)
Weight, g/mol:	283.128054
ΔH_f, kcal/mol:	-95.97
Dipole, Da:	8.74
IP(EA), eV:	-10.15(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-5-oxo-2-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]pentanoic acid

Drug info:

PubChemData

Smile

CCCC(C(=O)O)NC(=O)C1=NNC(=N1)C

DOS

IR

Vibrations