Geometry & MOs

Info

ID:	369666
PubChem CID:	127334996
Reduced:	SN3O3C15H17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-5.01
Dipole, Da:	3.54
IP(EA), eV:	-9.27(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)CN3C=NC4=C(C3=O)C=CS4)O

DOS

IR

Vibrations