Geometry & MOs

Info

ID:	411936
PubChem CID:	135084792
Reduced:	ON2F3C29H30 (1)
Stoich.:	AB2C3D29E30 (1)
Weight, g/mol:	464.14633
ΔH_f, kcal/mol:	-59.06
Dipole, Da:	3.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.194826
Charge, e:	0

Chem-info

IUPAC name:

(R)-(1-benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol;bromide

Drug info:

PubChemData

Smile

C=CCO[C@@H](C1CC2CC[N+]1(CC2C=C)CC3=C(C(=C(C=C3)F)F)F)C4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations