Geometry & MOs

Info

ID:	250379
PubChem CID:	103096138
Reduced:	BrN2O2F3H10C12 (1)
Stoich.:	AB2C2D3E10F12 (1)
Weight, g/mol:	238.168128
ΔH_f, kcal/mol:	-162.12
Dipole, Da:	3.62
IP(EA), eV:	-10.56(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2=C(C=CC(=C2)C(F)(F)F)Br)O

DOS

IR

Vibrations