Geometry & MOs

Info

ID:	207484
PubChem CID:	80402952
Reduced:	NBr2O2C15H17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	322.09323
ΔH_f, kcal/mol:	10.39
Dipole, Da:	6.6
IP(EA), eV:	-9.99(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-2-cyclohexylprop-1-enyl)-3-ethoxybenzene

Drug info:

PubChemData

Smile

C1CCC(CC1)/C(=C\C2=CC(=C(C=C2)Br)[N+](=O)[O-])/CBr

DOS

IR

Vibrations