Geometry & MOs

Info

ID:	271782
PubChem CID:	103691453
Reduced:	BrN2O3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	184.032478
ΔH_f, kcal/mol:	-51.45
Dipole, Da:	6.5
IP(EA), eV:	-9.13(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(chloromethylsulfonyl)-3-methylbutane

Drug info:

PubChemData

Smile

CC(C)COCCCNC1=C(C=CC(=C1)Br)[N+](=O)[O-]

DOS

IR

Vibrations