Geometry & MOs

Info

ID:	369698
PubChem CID:	127335038
Reduced:	SN2O4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	-170.69
Dipole, Da:	1.59
IP(EA), eV:	-9.56(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-2-methylpyrrolidin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)N3C4CCC3CC(C4)O

DOS

IR

Vibrations