Geometry & MOs

Info

ID:	200250
PubChem CID:	79372167
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	238.112443
ΔH_f, kcal/mol:	-28.29
Dipole, Da:	3.7
IP(EA), eV:	-8.71(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-2-(2,4-dimethylphenyl)oxane

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=N1)C2CC3=C(C2O)C=C(C=C3)OC

DOS

IR

Vibrations