Geometry & MOs

Info

ID:	214541
PubChem CID:	85083169
Reduced:	N2F3O4C30H37 (1)
Stoich.:	A2B3C4D30E37 (1)
Weight, g/mol:	433.285503
ΔH_f, kcal/mol:	-275.22
Dipole, Da:	40.26
IP(EA), eV:	-7.92(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1-heptyl-1-azoniabicyclo[2.2.2]octan-3-yl)-9H-xanthene-4-carboxamide

Drug info:

PubChemData

Smile

CCCCCCC[N+]12CCC(CC1)C(C2)NC(=O)C3=CC=CC4=C3OC5=CC=CC=C5C4.C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations