Geometry & MOs

Info

ID:	164343
PubChem CID:	74383416
Reduced:	ClF3N4O6C27H28 (1)
Stoich.:	AB3C4D6E27F28 (1)
Weight, g/mol:	584.164947
ΔH_f, kcal/mol:	-294.8
Dipole, Da:	6.76
IP(EA), eV:	-8.98(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]-4aH-1,8-naphthyridin-2-one;propanedioic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CCCCOC2=NC3=NC(=O)C=CC3C=C2)C4=C(C(=CC=C4)Cl)C(F)(F)F.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations