Geometry & MOs

Info

ID:	288577
PubChem CID:	104320041
Reduced:	FNSO3C13H16 (1)
Stoich.:	ABCD3E13F16 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-156.86
Dipole, Da:	5.23
IP(EA), eV:	-9.56(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-4-methoxyphenyl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)S(=O)(=O)C3=CC=CC=C3F)O

DOS

IR

Vibrations