Geometry & MOs

Info

ID:	159106
PubChem CID:	57260342
Reduced:	SiC19H22 (1)
Stoich.:	AB19C22 (1)
Weight, g/mol:	697.218713
ΔH_f, kcal/mol:	35.91
Dipole, Da:	0.76
IP(EA), eV:	-8.58(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(3,4-dichlorophenyl)-6-[2-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethyl]azepan-2-one

Drug info:

PubChemData

Smile

C[Si](C)(C)C=CC1=CC=C(C=C1)C2=CC=C(C=C2)C=C

DOS

IR

Vibrations