Geometry & MOs

Info

ID:	291585
PubChem CID:	113446114
Reduced:	ON2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	262.142976
ΔH_f, kcal/mol:	-29.08
Dipole, Da:	3.71
IP(EA), eV:	-9.02(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)NC1=NC=CN2C1=CC=N2

DOS

IR

Vibrations