Geometry & MOs

Info

ID:	411709
PubChem CID:	135084543
Reduced:	SiO2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	520.228141
ΔH_f, kcal/mol:	-62.2
Dipole, Da:	0.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752904
Charge, e:	0

Chem-info

IUPAC name:

(S)-[1-(anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;chloride

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)COCOC)[Si](C)C

DOS

IR

Vibrations