Geometry & MOs

Info

ID:	379611
PubChem CID:	134450161
Reduced:	N5H17C18 (1)
Stoich.:	A5B17C18 (1)
Weight, g/mol:	372.184921
ΔH_f, kcal/mol:	123.18
Dipole, Da:	3.16
IP(EA), eV:	-8.67(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[(3aS,6aR)-5-(4-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]-2-fluoropyridin-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1NN=C2)C3=C(N=CN4C3=NC(=C4)C5CC5)C

DOS

IR

Vibrations