Geometry & MOs

Info

ID:	169172
PubChem CID:	75069908
Reduced:	S2N3O6C16H19 (1)
Stoich.:	A2B3C6D16E19 (1)
Weight, g/mol:	408.196841
ΔH_f, kcal/mol:	-173.45
Dipole, Da:	8.39
IP(EA), eV:	-9.22(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole;hydrochloride

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)CO)SSC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations