Geometry & MOs

Info

ID:	426633
PubChem CID:	135153047
Reduced:	FN2H9C10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	337.139054
ΔH_f, kcal/mol:	15.71
Dipole, Da:	2.88
IP(EA), eV:	-9.63(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-3-(5-fluoro-3,3,4-trimethyl-4H-isoquinolin-1-yl)cinnoline

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)F)C(=NC1(C)C)C3=NC4=C(C(=CC=C4)F)N=N3)C

DOS

IR

Vibrations