Geometry & MOs

Info

ID:	312277
PubChem CID:	126604050
Reduced:	FN2O5C27H33 (1)
Stoich.:	AB2C5D27E33 (1)
Weight, g/mol:	412.216221
ΔH_f, kcal/mol:	-258.3
Dipole, Da:	4.79
IP(EA), eV:	-8.94(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methoxybenzoyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN([C@H]1C2=CC=C(C=C2)NC(=O)OC(C)(C)C)C(=O)C3=C(C=CC=C3F)C

DOS

IR

Vibrations