Geometry & MOs

Info

ID:	261517
PubChem CID:	103237661
Reduced:	NO3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	289.11365
ΔH_f, kcal/mol:	-124.18
Dipole, Da:	6.64
IP(EA), eV:	-9.46(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(cyclopentylmethylamino)methyl]-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC(C)NC(C)C1=CC=C(O1)C(=O)O

DOS

IR

Vibrations