Geometry & MOs

Info

ID:	255697
PubChem CID:	103134055
Reduced:	NOF2H9C16 (1)
Stoich.:	ABC2D9E16 (1)
Weight, g/mol:	251.105862
ΔH_f, kcal/mol:	-48.5
Dipole, Da:	4.7
IP(EA), eV:	-9.49(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,5-dimethylpyrazol-4-yl)-isoquinolin-8-ylmethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations