Geometry & MOs

Info

ID:	79719
PubChem CID:	49830121
Reduced:	FO2N4H20C23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	423.098584
ΔH_f, kcal/mol:	25.77
Dipole, Da:	2.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.772326
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 7-methoxy-2-methylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(ON=C4C=C3)C5=CC=C(C=C5)F

DOS

IR

Vibrations