Geometry & MOs

Info

ID:	255884
PubChem CID:	103135381
Reduced:	N5C14H17 (1)
Stoich.:	A5B14C17 (1)
Weight, g/mol:	318.00222
ΔH_f, kcal/mol:	102.37
Dipole, Da:	3.52
IP(EA), eV:	-8.41(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-bromo-6-(chloromethyl)phenoxy]methyl]-5-methyloxolane

Drug info:

PubChemData

Smile

CNC(C1=NN(C=C1)C)C2=NN(C3=CC=CC=C32)C

DOS

IR

Vibrations