Geometry & MOs

Info

ID:	202897
PubChem CID:	79740526
Reduced:	BrNO2H12C13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	231.071785
ΔH_f, kcal/mol:	-21.31
Dipole, Da:	2.51
IP(EA), eV:	-9.3(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(thiophen-3-yl)methanol

Drug info:

PubChemData

Smile

C1CC2=C(C1C(C3=CC=C(O3)Br)O)N=CC=C2

DOS

IR

Vibrations