Geometry & MOs

Info

ID:	218951
PubChem CID:	85090235
Reduced:	NS2F3O9C19H28 (1)
Stoich.:	AB2C3D9E19F28 (1)
Weight, g/mol:	535.18344
ΔH_f, kcal/mol:	-522.64
Dipole, Da:	5.82
IP(EA), eV:	-9.14(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[1-[3-(1H-pyrrol-3-yl)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl]-9H-xanthene-4-carboxamide;bromide

Drug info:

PubChemData

Smile

CC1(OCC(O1)C2C3C(CC(O2)(C4=[N+](C=CS4)C)OC)OC(O3)(C)C)C.C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations