Geometry & MOs

Info

ID:	411929
PubChem CID:	135084785
Reduced:	ClON2C28H29 (1)
Stoich.:	ABC2D28E29 (1)
Weight, g/mol:	409.227989
ΔH_f, kcal/mol:	78.59
Dipole, Da:	9.13
IP(EA), eV:	-8.68(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CC1C[N+]2(CCC1CC2[C@@H](C3=CC=NC4=CC=CC=C34)O)CC5=CC=CC=C5C#C.[Cl-]

DOS

IR

Vibrations