Geometry & MOs

Info

ID:	307691
PubChem CID:	125308126
Reduced:	OF4N6H16C19 (1)
Stoich.:	AB4C6D16E19 (1)
Weight, g/mol:	319.120843
ΔH_f, kcal/mol:	-114.99
Dipole, Da:	6.07
IP(EA), eV:	-9.48(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(4-methylphenyl)-2-(4-oxo-3H-quinolin-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=NC(=C2)C(F)(F)F)C(=O)C3=NN=C(C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations