Geometry & MOs

Info

ID:	223605
PubChem CID:	85335299
Reduced:	ClO3N4C24H25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	453.202797
ΔH_f, kcal/mol:	-71.26
Dipole, Da:	3.97
IP(EA), eV:	-8.61(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(cyclobutylamino)-2-propylquinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCNC(=O)N1C(=CC(=C2C=CC(=CC2=O)NC(=O)C3=CC=CC=C3Cl)N1)C4CCCC4

DOS

IR

Vibrations