Geometry & MOs

Info

ID:	159718
PubChem CID:	57288663
Reduced:	BrO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	445.203528
ΔH_f, kcal/mol:	-126.65
Dipole, Da:	3.73
IP(EA), eV:	-9.16(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[dimethylcarbamoyl(methyl)amino]methyl]-4-phenylpiperidin-1-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCC(CCC(=O)O)C1=C(C=CC(=C1)OC)Br

DOS

IR

Vibrations