Geometry & MOs

Info

ID:	198710
PubChem CID:	79139995
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	249.086189
ΔH_f, kcal/mol:	-102.5
Dipole, Da:	3.36
IP(EA), eV:	-10.07(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[2-(1H-pyrazol-5-yl)acetyl]amino]pyrazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1CCC(C1)N(CC(=O)O)C(=O)CC2=CC=NN2

DOS

IR

Vibrations