Geometry & MOs

Info

ID:	197075
PubChem CID:	78918791
Reduced:	NO5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	371.01908
ΔH_f, kcal/mol:	-240.61
Dipole, Da:	8.55
IP(EA), eV:	-10.12(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(4-bromophenyl)sulfanylacetyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1(CC(=O)N(C(=O)C1)C2(CCOCC2)C(=O)O)C

DOS

IR

Vibrations