Geometry & MOs

Info

ID:	147825
PubChem CID:	53787483
Reduced:	BrOSN2H13C14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	411.196507
ΔH_f, kcal/mol:	29.7
Dipole, Da:	2.58
IP(EA), eV:	-8.68(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-chloro-1-[(2,4,6,7-tetramethyl-5-phenylmethoxy-1-benzofuran-3-yl)methyl]piperidine

Drug info:

PubChemData

Smile

CSC1=CC(=CC(=C1)NNC(=O)C2=CC=CC=C2)Br

DOS

IR

Vibrations