Geometry & MOs

Info

ID:	253177
PubChem CID:	103116544
Reduced:	O3N7H9C10 (1)
Stoich.:	A3B7C9D10 (1)
Weight, g/mol:	225.111341
ΔH_f, kcal/mol:	50.44
Dipole, Da:	10.72
IP(EA), eV:	-10.0(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-methylpyrazole-3-carbonyl)-propan-2-ylamino]acetic acid

Drug info:

PubChemData

Smile

CN1C=CN=C1C2=C(N=NN2CC3=NOC=N3)C(=O)O

DOS

IR

Vibrations