Geometry & MOs

Info

ID:	386696
PubChem CID:	134982571
Reduced:	O2C9H11 (2)
Stoich.:	A2B9C11 (2)
Weight, g/mol:	487.1385
ΔH_f, kcal/mol:	-91.91
Dipole, Da:	5.66
IP(EA), eV:	-8.88(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[4-(2-bromo-7H-indeno[2,1-c]quinolin-6-yl)phenoxy]propyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCC1=C(C1=C2C=CC(=C2C(=O)OC)C(=O)OC)CCC

DOS

IR

Vibrations