Geometry & MOs

Info

ID:	56482
PubChem CID:	17435867
Reduced:	FN3O3C18H18 (1)
Stoich.:	AB3C3D18E18 (1)
Weight, g/mol:	439.102287
ΔH_f, kcal/mol:	-77.49
Dipole, Da:	2.08
IP(EA), eV:	-8.7(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)OC)CN2C(=O)OC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations