Geometry & MOs

Info

ID:	399509
PubChem CID:	135040631
Reduced:	BrOSC13H19 (1)
Stoich.:	ABCD13E19 (1)
Weight, g/mol:	218.118104
ΔH_f, kcal/mol:	-45.61
Dipole, Da:	4.15
IP(EA), eV:	-9.2(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-methyl-2,3,4,5a-tetrahydropyrano[2,3-b]quinolin-10-ium-5-ol

Drug info:

PubChemData

Smile

CCCCC1=C(SC(=C1Br)C=O)CCCC

DOS

IR

Vibrations