Geometry & MOs

Info

ID:	199308
PubChem CID:	79228683
Reduced:	NOSC17H25 (1)
Stoich.:	ABCD17E25 (1)
Weight, g/mol:	263.098
ΔH_f, kcal/mol:	-13.75
Dipole, Da:	1.59
IP(EA), eV:	-8.56(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopropyl(2,3-dihydro-1-benzothiophen-2-ylmethyl)amino]acetic acid

Drug info:

PubChemData

Smile

C1CC1NCC2(CCOCC2)CCSC3=CC=CC=C3

DOS

IR

Vibrations