Geometry & MOs

Info

ID:	386149
PubChem CID:	134980914
Reduced:	OC6H11 (2)
Stoich.:	AB6C11 (2)
Weight, g/mol:	285.07283
ΔH_f, kcal/mol:	-95.16
Dipole, Da:	1.04
IP(EA), eV:	-9.39(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4aS,6R,8aS)-6-bromo-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-2H-chromene-2-carbonitrile

Drug info:

PubChemData

Smile

CCO[C@@H]/1CCCC[C@@H](/C=C1)OCC

DOS

IR

Vibrations