Geometry & MOs

Info

ID:	299978
PubChem CID:	118043637
Reduced:	NOC3H5 (2)
Stoich.:	ABC3D5 (2)
Weight, g/mol:	502.02787
ΔH_f, kcal/mol:	-27.39
Dipole, Da:	5.41
IP(EA), eV:	-9.49(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-2-(3,5-dichlorophenyl)-7-fluoro-3-[1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-one

Drug info:

PubChemData

Smile

CC(=CN=CC(=O)NO)C

DOS

IR

Vibrations