Geometry & MOs

Info

ID:	193751
PubChem CID:	78434603
Reduced:	N2O2C24H31 (1)
Stoich.:	A2B2C24D31 (1)
Weight, g/mol:	379.238553
ΔH_f, kcal/mol:	-42.65
Dipole, Da:	6.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.126783
Charge, e:	1

Chem-info

IUPAC name:

N-(9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl)-4-ethoxybenzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)NC2CC3CCCC(C2)[NH+]3CC4=CC=CC=C4

DOS

IR

Vibrations