Geometry & MOs

Info

ID:	255675
PubChem CID:	103133940
Reduced:	NOF2H9C16 (1)
Stoich.:	ABC2D9E16 (1)
Weight, g/mol:	265.121512
ΔH_f, kcal/mol:	-44.64
Dipole, Da:	5.44
IP(EA), eV:	-9.63(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(=O)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations