Geometry & MOs

Info

ID:	133689
PubChem CID:	51575048
Reduced:	SN2O3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	368.190006
ΔH_f, kcal/mol:	-106.45
Dipole, Da:	2.69
IP(EA), eV:	-9.18(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorobenzoyl)-N-[(2R)-2-phenylpropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)OC)C)C(=O)N[C@@H](C)C2=CC=CS2

DOS

IR

Vibrations