Geometry & MOs

Info

ID:	267393
PubChem CID:	103582091
Reduced:	BrNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	333.03981
ΔH_f, kcal/mol:	-99.17
Dipole, Da:	4.04
IP(EA), eV:	-8.35(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(1-ethylsulfonylpropan-2-yl)-3,5-dimethylaniline

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NC(C)CC(=O)OC

DOS

IR

Vibrations