Geometry & MOs

Info

ID:	207852
PubChem CID:	80461530
Reduced:	FO4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	253.032813
ΔH_f, kcal/mol:	-204.26
Dipole, Da:	2.67
IP(EA), eV:	-9.35(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloropyridin-3-yl)-3-thiophen-2-ylpropan-1-ol

Drug info:

PubChemData

Smile

CCOC(=O)CCC(=O)C1=C(C=CC=C1F)OC

DOS

IR

Vibrations