Geometry & MOs

Info

ID:	125051
PubChem CID:	50908113
Reduced:	O5C18H18 (1)
Stoich.:	A5B18C18 (1)
Weight, g/mol:	384.052226
ΔH_f, kcal/mol:	-175.43
Dipole, Da:	8.42
IP(EA), eV:	-9.12(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-6-(4-chlorophenyl)-1-methyl-7-aza-6-azoniabicyclo[3.2.1]oct-6-ene;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC1([C@H](CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC(=O)CC=C)C

DOS

IR

Vibrations