Geometry & MOs

Info

ID:	381226
PubChem CID:	134971891
Reduced:	NOC11H11 (2)
Stoich.:	ABC11D11 (2)
Weight, g/mol:	443.233468
ΔH_f, kcal/mol:	39.13
Dipole, Da:	12.6
IP(EA), eV:	-7.19(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[[5-ethenyl-2-[hydroxy(quinolin-4-yl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]-2-hydroxy-5-methylbenzaldehyde

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C13CN(C4=C(O3)C=CC5=CC=CC=C54)O)C)C

DOS

IR

Vibrations