Geometry & MOs

Info

ID:	207483
PubChem CID:	80402641
Reduced:	NO2C15H29 (1)
Stoich.:	AB2C15D29 (1)
Weight, g/mol:	402.96055
ΔH_f, kcal/mol:	-121.07
Dipole, Da:	2.22
IP(EA), eV:	-9.23(1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-[(E)-3-bromo-2-cyclohexylprop-1-enyl]-2-nitrobenzene

Drug info:

PubChemData

Smile

COCCNCC1CCOC1CC2CCCCC2

DOS

IR

Vibrations