Geometry & MOs

Info

ID:	243078
PubChem CID:	99215416
Reduced:	SF3N3O6H18C19 (1)
Stoich.:	AB3C3D6E18F19 (1)
Weight, g/mol:	352.215078
ΔH_f, kcal/mol:	-256.71
Dipole, Da:	12.37
IP(EA), eV:	-9.3(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-benzyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations