Geometry & MOs

Info

ID:	413491
PubChem CID:	135086440
Reduced:	SO2N4C12H14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	254.98949
ΔH_f, kcal/mol:	-20.51
Dipole, Da:	3.26
IP(EA), eV:	-9.01(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-methyl-2-[(E)-2-nitroprop-1-enyl]benzene

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N=CN=C3S2)OCC(=O)NN

DOS

IR

Vibrations