Geometry & MOs

Info

ID:	398317
PubChem CID:	135032799
Reduced:	FNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	251.071306
ΔH_f, kcal/mol:	-101.76
Dipole, Da:	3.63
IP(EA), eV:	-9.21(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-ethyl-2,4-dimethylisoquinoline-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C/C[C@@H](C(=O)O)N)F

DOS

IR

Vibrations