Geometry & MOs

Info

ID:	149190
PubChem CID:	53788862
Reduced:	IO3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	534.11879
ΔH_f, kcal/mol:	-171.74
Dipole, Da:	2.09
IP(EA), eV:	-10.14(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-bromophenyl)ethenylsulfonyl]-4-[5-(3-hydroxyphenyl)pentyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCOC(=O)CC(CI)O

DOS

IR

Vibrations