Geometry & MOs

Info

ID:	193763
PubChem CID:	78434615
Reduced:	OSN2C21H27 (1)
Stoich.:	ABC2D21E27 (1)
Weight, g/mol:	367.18441
ΔH_f, kcal/mol:	-2.35
Dipole, Da:	2.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.032625
Charge, e:	1

Chem-info

IUPAC name:

3-phenyl-N-[9-(thiophen-2-ylmethyl)-9-azoniabicyclo[3.3.1]nonan-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2CC3CCCC(C2)[NH+]3CC4=CC=CS4

DOS

IR

Vibrations