Geometry & MOs

Info

ID:	213515
PubChem CID:	81063969
Reduced:	ClN3O3C13H18 (1)
Stoich.:	AB3C3D13E18 (1)
Weight, g/mol:	223.095691
ΔH_f, kcal/mol:	-122.64
Dipole, Da:	2.98
IP(EA), eV:	-9.97(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(pyrazine-2-carbonylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=NC=C(C(=N1)C(=O)NCC(C)CC(=O)O)Cl

DOS

IR

Vibrations