Geometry & MOs

Info

ID:	261997
PubChem CID:	103265378
Reduced:	NSO2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	233.105193
ΔH_f, kcal/mol:	-91.72
Dipole, Da:	4.85
IP(EA), eV:	-8.65(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(but-2-ynylamino)ethoxy]benzoic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)CNCC(C)(C)SC)C(=O)O

DOS

IR

Vibrations