Geometry & MOs

Info

ID:	447433
PubChem CID:	135282844
Reduced:	OF3N3C19H24 (1)
Stoich.:	AB3C3D19E24 (1)
Weight, g/mol:	510.111313
ΔH_f, kcal/mol:	-161.75
Dipole, Da:	2.3
IP(EA), eV:	-8.9(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-acetyl-3-(4-chlorophenyl)-2-[(5-chloropyridin-2-yl)methyl]-3-[3-(hydroxymethyl)cyclobutyl]oxyisoindol-1-one

Drug info:

PubChemData

Smile

CCCC(COC1=C(C=C(C=C1)C2=NC=NC(=C2)C)C(F)(F)F)N(C)C

DOS

IR

Vibrations