Geometry & MOs

Info

ID:	203600
PubChem CID:	79850209
Reduced:	SN2O2C13H22 (1)
Stoich.:	AB2C2D13E22 (1)
Weight, g/mol:	334.03506
ΔH_f, kcal/mol:	-69.36
Dipole, Da:	5.25
IP(EA), eV:	-8.19(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-methyl-2-(methylaminomethyl)-N-(2-methylsulfonylethyl)aniline

Drug info:

PubChemData

Smile

CCNCC1=CC=C(C=C1)N(C)CCS(=O)(=O)C

DOS

IR

Vibrations