Geometry & MOs

Info

ID:	193749
PubChem CID:	78434601
Reduced:	ON2C23H29 (1)
Stoich.:	AB2C23D29 (1)
Weight, g/mol:	365.222903
ΔH_f, kcal/mol:	-3.69
Dipole, Da:	5.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.148394
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2CC3CCCC(C2)[NH+]3CC4=CC=CC=C4

DOS

IR

Vibrations