Geometry & MOs

Info

ID:	256156
PubChem CID:	103137429
Reduced:	ClFN2H12C16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	262.09323
ΔH_f, kcal/mol:	20.76
Dipole, Da:	3.07
IP(EA), eV:	-9.08(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-5-methylhexyl)-5-methyloxolane

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C3=C(C=CC=C3Cl)F)N

DOS

IR

Vibrations