Geometry & MOs

Info

ID:	323989
PubChem CID:	126676721
Reduced:	FPN3O9C21H27 (1)
Stoich.:	ABC3D9E21F27 (1)
Weight, g/mol:	363.204573
ΔH_f, kcal/mol:	-482.46
Dipole, Da:	10.03
IP(EA), eV:	-9.96(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(3-ethoxycarbonylphenyl)-4-hydroxy-2-methylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)OC3=CC=CC=C3

DOS

IR

Vibrations