Geometry & MOs

Info

ID:	30549
PubChem CID:	841482
Reduced:	NCl2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	225.111341
ΔH_f, kcal/mol:	-57.24
Dipole, Da:	2.69
IP(EA), eV:	-9.47(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1,3-dimethylpyrazol-4-yl)methylamino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1CC1NC(=O)COC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations