Geometry & MOs

Info

ID:	213215
PubChem CID:	81063181
Reduced:	N2O3C14H16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	227.061614
ΔH_f, kcal/mol:	-102.28
Dipole, Da:	4.08
IP(EA), eV:	-8.81(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(thiophene-3-carbonylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=C2C=CNC2=CC=C1

DOS

IR

Vibrations