Geometry & MOs

Info

ID:	177887
PubChem CID:	76249582
Reduced:	F2N3O4C21H23 (1)
Stoich.:	A2B3C4D21E23 (1)
Weight, g/mol:	384.087685
ΔH_f, kcal/mol:	-196.56
Dipole, Da:	10.83
IP(EA), eV:	-9.24(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=O)C1C#N)C)CCC(=O)N(C)CC2=CC(=C(C=C2)OC)OC(F)F

DOS

IR

Vibrations