Geometry & MOs

Info

ID:	447405
PubChem CID:	135282620
Reduced:	FO2N4H9C11 (1)
Stoich.:	AB2C4D9E11 (1)
Weight, g/mol:	485.127297
ΔH_f, kcal/mol:	-67.99
Dipole, Da:	4.7
IP(EA), eV:	-10.27(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(4-chlorophenyl)-2-[(5-chloropyridin-2-yl)methyl]-6-[2-hydroxy-1-(methylamino)propan-2-yl]-3-methoxyisoindol-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1F)C2=CC(=NC=N2)NC(=O)O

DOS

IR

Vibrations