Geometry & MOs

Info

ID:	272614
PubChem CID:	103750033
Reduced:	BrSN3C6H8 (1)
Stoich.:	ABC3D6E8 (1)
Weight, g/mol:	293.11757
ΔH_f, kcal/mol:	65.54
Dipole, Da:	5.06
IP(EA), eV:	-9.1(-1.02)
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-(2-amino-5-fluoro-3-nitrophenyl)methanone

Drug info:

PubChemData

Smile

CC(C=C)NC1=NN=C(S1)Br

DOS

IR

Vibrations