Geometry & MOs

Info

ID:	256953
PubChem CID:	103142657
Reduced:	NOC16H19 (1)
Stoich.:	ABC16D19 (1)
Weight, g/mol:	248.07758
ΔH_f, kcal/mol:	-12.26
Dipole, Da:	3.73
IP(EA), eV:	-9.09(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(bromomethyl)pentyl]-5-methyloxolane

Drug info:

PubChemData

Smile

C1CCCC(CC1)(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations