Geometry & MOs

Info

ID:	253188
PubChem CID:	103116663
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	225.111341
ΔH_f, kcal/mol:	-83.2
Dipole, Da:	9.01
IP(EA), eV:	-9.23(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-[methyl-(1-methylpyrazole-3-carbonyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C(=O)O)NC(=O)C1=NN(C2=CC=CC=C21)C

DOS

IR

Vibrations