Geometry & MOs

Info

ID:	207490
PubChem CID:	80403281
Reduced:	N3F4C12H15 (1)
Stoich.:	A3B4C12D15 (1)
Weight, g/mol:	338.0266
ΔH_f, kcal/mol:	-148.77
Dipole, Da:	7.59
IP(EA), eV:	-9.33(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CNC1=C(C(=NC(=C1F)F)F)F)N2CCCC2

DOS

IR

Vibrations