Geometry & MOs

Info

ID:	133340
PubChem CID:	51510757
Reduced:	O2N3C20H32 (1)
Stoich.:	A2B3C20D32 (1)
Weight, g/mol:	359.281087
ΔH_f, kcal/mol:	-39.1
Dipole, Da:	1.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752177
Charge, e:	1

Chem-info

IUPAC name:

benzyl-methyl-[[(3R,4S,6R)-6-[(propan-2-ylcarbamoylamino)methyl]-1-azabicyclo[2.2.2]octan-3-yl]methyl]azanium

Drug info:

PubChemData

Smile

CN(C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNC(=O)COC)CC3=CC=CC=C3

DOS

IR

Vibrations