Geometry & MOs

Info

ID:	288642
PubChem CID:	104322593
Reduced:	BrNOF3C14H15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-190.45
Dipole, Da:	5.75
IP(EA), eV:	-9.33(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations