Geometry & MOs

Info

ID:	256973
PubChem CID:	103142837
Reduced:	NOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	320.050148
ΔH_f, kcal/mol:	-25.89
Dipole, Da:	4.26
IP(EA), eV:	-9.02(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]-5-methyloxolane

Drug info:

PubChemData

Smile

CCC1CCCC(C1)(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations