Geometry & MOs

Info

ID:	255664
PubChem CID:	103133865
Reduced:	OF2N2C11H14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	281.060742
ΔH_f, kcal/mol:	-121.54
Dipole, Da:	7.47
IP(EA), eV:	-10.04(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-2-methylphenyl)-isoquinolin-8-ylmethanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C2CCC(CC2)(F)F

DOS

IR

Vibrations