Geometry & MOs

Info

ID:	447392
PubChem CID:	135282557
Reduced:	FNC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	554.185146
ΔH_f, kcal/mol:	-40.57
Dipole, Da:	3.08
IP(EA), eV:	-8.54(-0.44)
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-(4-methylpiperazin-1-yl)propan-2-yl]-3-methoxyisoindol-1-one

Drug info:

PubChemData

Smile

CC1(C=CC(=C(N1)CF)F)C2=CC=NC=C2

DOS

IR

Vibrations