Geometry & MOs

Info

ID:	396619
PubChem CID:	135028887
Reduced:	N2O5C31H36 (1)
Stoich.:	A2B5C31D36 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	-122.72
Dipole, Da:	4.94
IP(EA), eV:	-8.18(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-methoxymethyl]-6-methoxy-1-oxidoquinolin-1-ium

Drug info:

PubChemData

Smile

CCO[C@@H](CC1=CC=C(C=C1)OCCN2CCC(C3=C2C=CC(=C3)/C(=N\O)/C4=CC=CC=C4)(C)C)C(=O)O

DOS

IR

Vibrations