Geometry & MOs

Info

ID:	287982
PubChem CID:	104304199
Reduced:	ClF2N2O2H11C13 (1)
Stoich.:	AB2C2D2E11F13 (1)
Weight, g/mol:	338.00885
ΔH_f, kcal/mol:	-134.59
Dipole, Da:	3.49
IP(EA), eV:	-9.78(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-bromo-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]-6-methoxypyrimidine

Drug info:

PubChemData

Smile

COC1=NC=NC(=C1)CC(C2=CC(=C(C=C2F)Cl)F)O

DOS

IR

Vibrations