Geometry & MOs

Info

ID:	213868
PubChem CID:	81065499
Reduced:	NO4C15H17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	255.092915
ΔH_f, kcal/mol:	-140.22
Dipole, Da:	3.17
IP(EA), eV:	-9.52(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3-methylthiophene-2-carbonyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=COC2=CC=CC=C21

DOS

IR

Vibrations