Geometry & MOs

Info

ID:	28184
PubChem CID:	826095
Reduced:	NCl2O2C17H17 (1)
Stoich.:	AB2C2D17E17 (1)
Weight, g/mol:	279.058155
ΔH_f, kcal/mol:	-73.23
Dipole, Da:	3.06
IP(EA), eV:	-9.59(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-[(Z)-3-chlorobut-2-enyl]-2,6-dimethylquinoline

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(C(=C(N=C2C=C1)C)C/C=C(/C)\Cl)Cl

DOS

IR

Vibrations