Geometry & MOs

Info

ID:	213712
PubChem CID:	81064754
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	225.111341
ΔH_f, kcal/mol:	-83.75
Dipole, Da:	3.2
IP(EA), eV:	-9.32(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(5-methyl-1H-pyrazole-4-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC2=C(C=C1)NN=C2

DOS

IR

Vibrations