Geometry & MOs

Info

ID:	250372
PubChem CID:	103096107
Reduced:	BrN2O2H13C15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	246.117984
ΔH_f, kcal/mol:	11.65
Dipole, Da:	2.75
IP(EA), eV:	-9.53(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]propan-1-ol

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2=CC3=C(C=C2)C=C(C=C3)Br)O

DOS

IR

Vibrations