Geometry & MOs

Info

ID:	389690
PubChem CID:	134994462
Reduced:	BrNOC10H18 (1)
Stoich.:	ABCD10E18 (1)
Weight, g/mol:	171.125929
ΔH_f, kcal/mol:	-37.96
Dipole, Da:	3.79
IP(EA), eV:	-9.18(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aS,5S,6S,6aR)-2,5,6-trimethyl-6-oxido-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrol-6-ium

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@](C1)(N=O)Br)C(C)C

DOS

IR

Vibrations