Geometry & MOs

Info

ID:	288660
PubChem CID:	104323102
Reduced:	BrFN2O2C15H18 (1)
Stoich.:	ABC2D2E15F18 (1)
Weight, g/mol:	250.179361
ΔH_f, kcal/mol:	-120.25
Dipole, Da:	5.88
IP(EA), eV:	-9.01(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)CC(=O)NC3=C(C=C(C=C3)Br)F)O

DOS

IR

Vibrations