Geometry & MOs

Info

ID:	342549
PubChem CID:	127265704
Reduced:	BrN2O3C11H13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	278.988755
ΔH_f, kcal/mol:	-21.73
Dipole, Da:	8.69
IP(EA), eV:	-9.79(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(but-2-enylsulfonylmethyl)-3,5-dichloropyridine

Drug info:

PubChemData

Smile

CCC=CCCN1C=C(C=C(C1=O)[N+](=O)[O-])Br

DOS

IR

Vibrations