Geometry & MOs

Info

ID:	288631
PubChem CID:	104322056
Reduced:	NO2C8H13 (1)
Stoich.:	AB2C8D13 (1)
Weight, g/mol:	285.097663
ΔH_f, kcal/mol:	-97.75
Dipole, Da:	4.3
IP(EA), eV:	-9.53(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)C=O)O

DOS

IR

Vibrations