Geometry & MOs

Info

ID:	361297
PubChem CID:	127302492
Reduced:	OF3N5C19H28 (1)
Stoich.:	AB3C5D19E28 (1)
Weight, g/mol:	383.182062
ΔH_f, kcal/mol:	-188.2
Dipole, Da:	4.14
IP(EA), eV:	-8.41(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)C

DOS

IR

Vibrations