Geometry & MOs

Info

ID:	315012
PubChem CID:	126624172
Reduced:	ClON2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	517.283966
ΔH_f, kcal/mol:	-25.73
Dipole, Da:	3.88
IP(EA), eV:	-8.46(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[2-cyclopropyl-4-(2-ethoxycarbonylcyclopentanecarbonyl)-5-fluorophenoxy]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C1=C(C=C2C=CC(=CC2=N1)Cl)N)O

DOS

IR

Vibrations