Geometry & MOs

Info

ID:	128707
PubChem CID:	51054931
Reduced:	ClF2N3O3H14C19 (1)
Stoich.:	AB2C3D3E14F19 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	-131.45
Dipole, Da:	10.53
IP(EA), eV:	-9.11(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-N-(3-pyrrolidin-1-ylphenyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC(=C(C=C3)F)Cl)F

DOS

IR

Vibrations