Geometry & MOs

Info

ID:	186092
PubChem CID:	77389729
Reduced:	SiO3C6H9 (1)
Stoich.:	AB3C6D9 (1)
Weight, g/mol:	435.28972
ΔH_f, kcal/mol:	-51.89
Dipole, Da:	1.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751477
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-(5-fluoro-2-hydroxy-3-propylidene-4,5,6,7-tetrahydro-2H-indol-1-yl)piperidin-1-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1C(C2C(O1)C(CO2)[Si])O

DOS

IR

Vibrations