Geometry & MOs

Info

ID:	437212
PubChem CID:	135215933
Reduced:	OSN2C18H28 (1)
Stoich.:	ABC2D18E28 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-37.6
Dipole, Da:	2.79
IP(EA), eV:	-9.33(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(azetidin-3-yloxy)ethyl]-1H-indol-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)C1=CN=C(O1)C(C)CCC(C)C2=CN=C(S2)C(C)C

DOS

IR

Vibrations