Geometry & MOs

Info

ID:	193973
PubChem CID:	78462062
Reduced:	N2O2C11H18 (1)
Stoich.:	A2B2C11D18 (1)
Weight, g/mol:	371.067723
ΔH_f, kcal/mol:	-36.92
Dipole, Da:	4.43
IP(EA), eV:	-8.62(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-oxo-2-[1-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]sulfanylacetate

Drug info:

PubChemData

Smile

C[NH+](C)C(C[NH3+])C1=CC2=C(C=C1)OCO2

DOS

IR

Vibrations