Geometry & MOs

Info

ID:	426655
PubChem CID:	135153158
Reduced:	ClFN3O3C24H31 (1)
Stoich.:	ABC3D3E24F31 (1)
Weight, g/mol:	353.122735
ΔH_f, kcal/mol:	-157.99
Dipole, Da:	8.48
IP(EA), eV:	-8.54(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4,4-difluoro-3,3-dimethylisoquinolin-1-yl)-4-methylchromen-2-one

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=NC(=C(C=C3)Cl)F

DOS

IR

Vibrations