Geometry & MOs

Info

ID:	256960
PubChem CID:	103142716
Reduced:	ON2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	316.02296
ΔH_f, kcal/mol:	-12.09
Dipole, Da:	1.24
IP(EA), eV:	-8.94(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-bromo-2-(3-chlorophenyl)propyl]-5-methyloxolane

Drug info:

PubChemData

Smile

CCN1CCC(CC1)(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations