Geometry & MOs

Info

ID:	423083
PubChem CID:	135118906
Reduced:	F3O3N4C22H25 (1)
Stoich.:	A3B3C4D22E25 (1)
Weight, g/mol:	350.210661
ΔH_f, kcal/mol:	-233.56
Dipole, Da:	3.98
IP(EA), eV:	-8.91(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-dihydroisoindol-2-yl)-N-(2-piperazin-1-ylethyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC(=NC=C1)CN2CC3(CCN(CC3)C4=NC=C(C=C4)C(F)(F)F)OCCC2=O

DOS

IR

Vibrations