Geometry & MOs

Info

ID:	193752
PubChem CID:	78434604
Reduced:	N2O2C24H31 (1)
Stoich.:	A2B2C24D31 (1)
Weight, g/mol:	379.238553
ΔH_f, kcal/mol:	-43.37
Dipole, Da:	6.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.126157
Charge, e:	1

Chem-info

IUPAC name:

N-[9-[(4-methoxyphenyl)methyl]-9-azoniabicyclo[3.3.1]nonan-3-yl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)NC2CC3CCCC(C2)[NH+]3CC4=CC=CC=C4

DOS

IR

Vibrations