Geometry & MOs

Info

ID:	398857
PubChem CID:	135035841
Reduced:	NOC12H19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	523.214092
ΔH_f, kcal/mol:	-48.88
Dipole, Da:	1.96
IP(EA), eV:	-8.21(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethyl]-2,3,4-trimethoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC(=C(C=C1C)C)O

DOS

IR

Vibrations