Geometry & MOs

Info

ID:	27964
PubChem CID:	824372
Reduced:	NCl3H12C14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	279.058155
ΔH_f, kcal/mol:	14.9
Dipole, Da:	2.35
IP(EA), eV:	-9.14(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C(N=C2C=C1)C)CC=C(Cl)Cl)Cl

DOS

IR

Vibrations