Geometry & MOs

Info

ID:	443309
PubChem CID:	135258524
Reduced:	NCl3O3H16C21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	381.207722
ΔH_f, kcal/mol:	-21.28
Dipole, Da:	2.43
IP(EA), eV:	-9.38(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-[2-(7-fluoro-2,3-dihydro-1,5-naphthyridin-4-yl)hydrazinyl]ethenyl]piperazin-1-yl]aniline

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=C(C=C1)OCC2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C4CC4)Cl

DOS

IR

Vibrations