Geometry & MOs

Info

ID:	164025
PubChem CID:	74381515
Reduced:	NO4C23H31 (1)
Stoich.:	AB4C23D31 (1)
Weight, g/mol:	386.233134
ΔH_f, kcal/mol:	-159.4
Dipole, Da:	13.05
IP(EA), eV:	-9.3(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[3-(1-phenylcycloheptanecarbonyl)oxy-1-azoniabicyclo[2.2.2]octan-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1CCCC(CC1)(C2=CC=CC=C2)C(=O)OC3C[N+]4(CCC3CC4)CC(=O)[O-]

DOS

IR

Vibrations