Geometry & MOs

Info

ID:	213140
PubChem CID:	81062990
Reduced:	NO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	281.173942
ΔH_f, kcal/mol:	-159.29
Dipole, Da:	3.72
IP(EA), eV:	-9.14(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1CC2=CC=CC=C2O1

DOS

IR

Vibrations