Geometry & MOs

Info

ID:	257666
PubChem CID:	103147801
Reduced:	F2N2O2C15H24 (1)
Stoich.:	A2B2C2D15E24 (1)
Weight, g/mol:	236.068257
ΔH_f, kcal/mol:	-186.49
Dipole, Da:	7.16
IP(EA), eV:	-9.24(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-difluoroethoxy)-1-(5-methylthiophen-2-yl)propan-1-ol

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C=CC(=N2)CC(CCOCC(F)F)O

DOS

IR

Vibrations