Geometry & MOs

Info

ID:	78951
PubChem CID:	49742809
Reduced:	ClN3O4H16C19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	376.142307
ΔH_f, kcal/mol:	-53.68
Dipole, Da:	3.09
IP(EA), eV:	-9.09(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(1,3-benzodioxol-5-yl)-N-(2-oxo-4-propan-2-yl-1H-quinolin-7-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=O)NC2=C1C=CC(=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations