Geometry & MOs

Info

ID:	298883
PubChem CID:	117663326
Reduced:	NBr2C7H9 (1)
Stoich.:	AB2C7D9 (1)
Weight, g/mol:	202.021914
ΔH_f, kcal/mol:	10.3
Dipole, Da:	5.65
IP(EA), eV:	-8.61(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-methyl-5-(methylsulfinylmethyl)benzene

Drug info:

PubChemData

Smile

CC1=C(C(=C(N1C)C)Br)Br

DOS

IR

Vibrations