Geometry & MOs

Info

ID:	256944
PubChem CID:	103142557
Reduced:	ON3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	252.128093
ΔH_f, kcal/mol:	-39.88
Dipole, Da:	5.15
IP(EA), eV:	-8.75(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-benzyl-3-chloropropyl)-5-methyloxolane

Drug info:

PubChemData

Smile

CC(=O)NC1CCN(CC1)C2=CC=CC3=C2CNCC3

DOS

IR

Vibrations