Geometry & MOs

Info

ID:	411248
PubChem CID:	135084061
Reduced:	NBr2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	284.11396
ΔH_f, kcal/mol:	-66.66
Dipole, Da:	3.95
IP(EA), eV:	-9.57(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-2-[(E)-2-bromobut-2-enyl]-4-tert-butyl-1-methylidenecyclohexane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC(=O)N(CCBr)CCBr

DOS

IR

Vibrations