Geometry & MOs

Info

ID:	189304
PubChem CID:	77840130
Reduced:	OSN2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	458.137527
ΔH_f, kcal/mol:	3.19
Dipole, Da:	8.22
IP(EA), eV:	-8.47(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;9-(3,4-dichlorophenoxy)-N,N,3-trimethyl-3-azabicyclo[3.3.1]nonan-6-amine

Drug info:

PubChemData

Smile

C=CCC1C(NC(=S)N1)C2=CC=CC=C2O

DOS

IR

Vibrations