Geometry & MOs

Info

ID:	308070
PubChem CID:	125316835
Reduced:	ClN2O3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	135.08099
ΔH_f, kcal/mol:	-70.51
Dipole, Da:	8.0
IP(EA), eV:	-9.41(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-methoxy-4,6-dimethylcyclohexa-1,2,4-triene

Drug info:

PubChemData

Smile

C[C@@]1([C@H]2C(=C3C=CC=CC3=N2)CCN1C(=O)CCl)C(=O)O

DOS

IR

Vibrations