Geometry & MOs

Info

ID:	405829
PubChem CID:	135075589
Reduced:	BrO2C8H15 (1)
Stoich.:	AB2C8D15 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	-112.96
Dipole, Da:	2.78
IP(EA), eV:	-9.82(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-[(E)-4-methylpent-2-en-2-yl]-1-oxidopyridin-1-ium

Drug info:

PubChemData

Smile

C1C[C@H](OC1)[C@H](CCCO)Br

DOS

IR

Vibrations