Geometry & MOs

Info

ID:	20813
PubChem CID:	585846
Reduced:	ON2C26H29 (1)
Stoich.:	AB2C26D29 (1)
Weight, g/mol:	385.227989
ΔH_f, kcal/mol:	32.68
Dipole, Da:	2.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.123894
Charge, e:	1

Chem-info

IUPAC name:

(1-benzylquinolin-1-ium-4-yl)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanol

Drug info:

PubChemData

Smile

C=CC1CN2CCC1CC2C(C3=CC=[N+](C4=CC=CC=C34)CC5=CC=CC=C5)O

DOS

IR

Vibrations