Geometry & MOs

Info

ID:	50057
PubChem CID:	11539084
Reduced:	SN3O5C20H29 (1)
Stoich.:	AB3C5D20E29 (1)
Weight, g/mol:	423.219829
ΔH_f, kcal/mol:	-141.73
Dipole, Da:	7.89
IP(EA), eV:	-8.48(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(2-benzhydryl-1-azabicyclo[2.2.2]octan-3-ylidene)-1-(2-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1CCC2(C1)CC(=NO2)C3=CC(=C(C=C3)OC)OC4CCCC4

DOS

IR

Vibrations