Geometry & MOs

Info

ID:	369656
PubChem CID:	127334986
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	323.166748
ΔH_f, kcal/mol:	-61.32
Dipole, Da:	3.57
IP(EA), eV:	-9.71(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-tert-butylimidazol-2-yl)sulfanyl-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)C2=CC=CC=C2C(=O)N3C4CCC3CC(C4)O

DOS

IR

Vibrations