Geometry & MOs

Info

ID:	389971
PubChem CID:	134996308
Reduced:	NBr2O3C9H9 (1)
Stoich.:	AB2C3D9E9 (1)
Weight, g/mol:	238.156895
ΔH_f, kcal/mol:	-42.63
Dipole, Da:	2.84
IP(EA), eV:	-9.51(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-but-3-enyl-3,4-dimethylcyclohexen-1-yl] methyl carbonate

Drug info:

PubChemData

Smile

COC1=C([C@@H]([C@]2(CC=NO2)C=C1Br)O)Br

DOS

IR

Vibrations