Geometry & MOs

Info

ID:	447381
PubChem CID:	135282482
Reduced:	FO2N4H9C11 (1)
Stoich.:	AB2C4D9E11 (1)
Weight, g/mol:	452.98797
ΔH_f, kcal/mol:	-65.02
Dipole, Da:	6.05
IP(EA), eV:	-10.01(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(5-bromo-3-oxo-1H-isoindol-2-yl)-(4-chlorophenyl)-hydroxymethyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations