Geometry & MOs

Info

ID:	209417
PubChem CID:	80669933
Reduced:	BrSN2O2C8H19 (1)
Stoich.:	ABC2D2E8F19 (1)
Weight, g/mol:	353.06266
ΔH_f, kcal/mol:	-98.12
Dipole, Da:	5.07
IP(EA), eV:	-9.79(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-bromoethyl)piperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone

Drug info:

PubChemData

Smile

CCCCN(CCBr)S(=O)(=O)N(C)C

DOS

IR

Vibrations