Geometry & MOs

Info

ID:	146197
PubChem CID:	53649447
Reduced:	O2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	359.135528
ΔH_f, kcal/mol:	-12.16
Dipole, Da:	4.84
IP(EA), eV:	-8.45(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-[3-(fluoromethylsulfanyl)phenyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C=C2)C=NNC(=O)N

DOS

IR

Vibrations