Geometry & MOs

Info

ID:	27965
PubChem CID:	824373
Reduced:	NCl2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	279.058155
ΔH_f, kcal/mol:	11.51
Dipole, Da:	1.89
IP(EA), eV:	-9.03(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-[(Z)-3-chlorobut-2-enyl]-2,8-dimethylquinoline

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=C(C(=N2)C)C/C=C(\C)/Cl)Cl

DOS

IR

Vibrations