Geometry & MOs

Info

ID:	369658
PubChem CID:	127334988
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	301.134779
ΔH_f, kcal/mol:	51.6
Dipole, Da:	3.59
IP(EA), eV:	-9.9(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentylsulfonyl-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)C3=NOC(=C3)C4=CC=NC=C4)O

DOS

IR

Vibrations