Geometry & MOs

Info

ID:	256978
PubChem CID:	103142872
Reduced:	NOF3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	313.97039
ΔH_f, kcal/mol:	-179.74
Dipole, Da:	2.63
IP(EA), eV:	-9.26(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-bromo-2-(bromomethyl)-2-methylpropyl]-5-methyloxolane

Drug info:

PubChemData

Smile

C1CC(CC(C1)(C2=CC=CC3=C2C=NC=C3)O)C(F)(F)F

DOS

IR

Vibrations