Geometry & MOs

Info

ID:	134350
PubChem CID:	51684515
Reduced:	OSN3C22H27 (1)
Stoich.:	ABC3D22E27 (1)
Weight, g/mol:	396.210959
ΔH_f, kcal/mol:	12.11
Dipole, Da:	4.97
IP(EA), eV:	-8.45(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(1R,5S)-8-benzyl-8-azoniabicyclo[3.2.1]octan-3-yl]-3-(2-ethoxyphenyl)thiourea

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=S)NC2C[C@H]3CC[C@@H](C2)N3CC4=CC=CC=C4

DOS

IR

Vibrations