Geometry & MOs

Info

ID:	446068
PubChem CID:	135272137
Reduced:	ClF3N3H9C14 (1)
Stoich.:	AB3C3D9E14 (1)
Weight, g/mol:	357.241627
ΔH_f, kcal/mol:	-65.0
Dipole, Da:	6.99
IP(EA), eV:	-9.4(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-(diethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1CC1NC2=C(C(=NC3=C2C=C(C=C3)Cl)C(F)(F)F)C#N

DOS

IR

Vibrations