Geometry & MOs

Info

ID:	256962
PubChem CID:	103142725
Reduced:	NOC15H19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	316.02296
ΔH_f, kcal/mol:	-23.93
Dipole, Da:	4.15
IP(EA), eV:	-9.07(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-bromophenyl)-3-chloropropyl]-5-methyloxolane

Drug info:

PubChemData

Smile

CCC(C1=CC=CC2=C1C=NC=C2)(C(C)C)O

DOS

IR

Vibrations