Geometry & MOs

Info

ID:	328579
PubChem CID:	126725643
Reduced:	F2O3N7C31H33 (1)
Stoich.:	A2B3C7D31E33 (1)
Weight, g/mol:	215.094629
ΔH_f, kcal/mol:	-101.54
Dipole, Da:	3.79
IP(EA), eV:	-8.33(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

quinolin-5-yl 2-methylpropanoate

Drug info:

PubChemData

Smile

C1CN(CCN1CCO)CC2=CC3=C(C=C2)NC(=C3)C4=CC(=CNC4=O)C(=O)N/C(=C/N)/C=NCC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations