Geometry & MOs

Info

ID:	412277
PubChem CID:	135085162
Reduced:	CuIN2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	494.15689
ΔH_f, kcal/mol:	117.79
Dipole, Da:	3.0
IP(EA), eV:	-9.19(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=NCCN=CC2=CC=CC=C2.[Cu]I

DOS

IR

Vibrations