Geometry & MOs

Info

ID:	125794
PubChem CID:	50938746
Reduced:	NO4C18H23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	500.118209
ΔH_f, kcal/mol:	-125.66
Dipole, Da:	2.37
IP(EA), eV:	-8.28(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]spiro[1H-indole-3,4'-piperidine]-2-one

Drug info:

PubChemData

Smile

CN1CC[C@]23[C@@H]4C(CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O)O

DOS

IR

Vibrations