Geometry & MOs

Info

ID:	282606
PubChem CID:	103932643
Reduced:	BrFN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	215.188529
ΔH_f, kcal/mol:	3.8
Dipole, Da:	2.15
IP(EA), eV:	-8.24(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(octan-4-ylamino)oxolan-3-ol

Drug info:

PubChemData

Smile

CCC1=NN(C=C1NC(C)C2=C(C=CC(=C2)Br)F)C

DOS

IR

Vibrations