Geometry & MOs

Info

ID:	77629
PubChem CID:	49658475
Reduced:	FN2O5H19C20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	395.103669
ΔH_f, kcal/mol:	-192.38
Dipole, Da:	6.64
IP(EA), eV:	-8.57(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-chloro-4-[2-(1H-indol-3-yl)ethylamino]-2-oxo-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)CNC2=C(C(=O)NC3=C2C=CC(=C3)F)C(=O)OC

DOS

IR

Vibrations