Geometry & MOs

Info

ID:	288641
PubChem CID:	104322557
Reduced:	O3N4C13H14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	349.02891
ΔH_f, kcal/mol:	9.23
Dipole, Da:	4.65
IP(EA), eV:	-9.62(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-bromo-2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)C3=NC=CC(=C3[N+](=O)[O-])C#N)O

DOS

IR

Vibrations