Geometry & MOs

Info

ID:	213879
PubChem CID:	81065510
Reduced:	NSO5C14H19 (1)
Stoich.:	ABC5D14E19 (1)
Weight, g/mol:	295.189592
ΔH_f, kcal/mol:	-206.66
Dipole, Da:	6.56
IP(EA), eV:	-10.23(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=CC=C(C=C1)S(=O)(=O)C

DOS

IR

Vibrations