Geometry & MOs

Info

ID:	432549
PubChem CID:	135172682
Reduced:	N3C13H17 (2)
Stoich.:	A3B13C17 (2)
Weight, g/mol:	467.141197
ΔH_f, kcal/mol:	86.91
Dipole, Da:	5.26
IP(EA), eV:	-8.32(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(3-chloro-4-fluorophenoxy)acetyl]piperidin-4-yl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone

Drug info:

PubChemData

Smile

CC(C1=CN=C(C=C1)CC2CCN(CC2)C(=C)C=C)NC3=NC=CC(=N3)N4CCCC4=C

DOS

IR

Vibrations