Geometry & MOs

Info

ID:	197096
PubChem CID:	78921757
Reduced:	FNSO2C15H20 (1)
Stoich.:	ABCD2E15F20 (1)
Weight, g/mol:	311.05209
ΔH_f, kcal/mol:	-117.75
Dipole, Da:	2.51
IP(EA), eV:	-8.82(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(3-bromophenyl)methyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1CCCN(C1)CCSC2=CC=C(C=C2)F

DOS

IR

Vibrations