Geometry & MOs

Info

ID:	261403
PubChem CID:	103231075
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	239.098
ΔH_f, kcal/mol:	-114.93
Dipole, Da:	6.45
IP(EA), eV:	-9.38(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(cyclopentylamino)methyl]-5-methylthiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)C(=O)O)CNC2CCCC2

DOS

IR

Vibrations