Geometry & MOs

Info

ID:	193750
PubChem CID:	78434602
Reduced:	N2O2C23H29 (1)
Stoich.:	A2B2C23D29 (1)
Weight, g/mol:	379.238553
ΔH_f, kcal/mol:	-21.82
Dipole, Da:	6.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.093496
Charge, e:	1

Chem-info

IUPAC name:

N-(9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl)-2-ethoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)NC2CC3CCCC(C2)[NH+]3CC4=CC=CC=C4

DOS

IR

Vibrations