Geometry & MOs

Info

ID:	45050
PubChem CID:	10507489
Reduced:	NSi2F3O4C29H42 (1)
Stoich.:	AB2C3D4E29F42 (1)
Weight, g/mol:	330.184447
ΔH_f, kcal/mol:	-390.12
Dipole, Da:	3.28
IP(EA), eV:	-8.9(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-[3-(4-aminoquinolin-1-ium-1-yl)propyl]quinolin-1-ium-4-amine

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1=C(C=C2C(=C1)CN(CCC23C=CC(=O)C=C3)C(=O)C(F)(F)F)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations