Geometry & MOs

Info

ID:	309907
PubChem CID:	126566475
Reduced:	FON3C17H20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	374.220557
ΔH_f, kcal/mol:	-0.17
Dipole, Da:	2.16
IP(EA), eV:	-8.77(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-but-2-enedioic acid;(3R)-2,2-dimethyl-N-[(1R)-1-phenylethyl]-1-azabicyclo[2.2.2]octan-3-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1F)C(=NO2)N[C@@H]3C4CCN(C35CC5)CC4

DOS

IR

Vibrations