Geometry & MOs

Info

ID:	207339
PubChem CID:	80381619
Reduced:	ON5C15H25 (1)
Stoich.:	AB5C15D25 (1)
Weight, g/mol:	268.073343
ΔH_f, kcal/mol:	10.9
Dipole, Da:	4.98
IP(EA), eV:	-8.52(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-difluorophenyl)-1-(2,5-dimethylthiophen-3-yl)ethanol

Drug info:

PubChemData

Smile

CN(C)C1(CCCCC1)CNC(=O)C2=NNC(=N2)C3CC3

DOS

IR

Vibrations