Geometry & MOs

Info

ID:	426659
PubChem CID:	135153183
Reduced:	N3F7H12C20 (1)
Stoich.:	A3B7C12D20 (1)
Weight, g/mol:	311.089247
ΔH_f, kcal/mol:	-241.3
Dipole, Da:	7.18
IP(EA), eV:	-10.09(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-fluoro-3,3-dimethyl-4H-isoquinolin-1-yl)thieno[3,2-c]pyridazine

Drug info:

PubChemData

Smile

CC1(C(C2=C(C=CC=C2C(F)(F)F)C(=N1)C3=NN=C4C(=C3)C=CC(=C4F)F)(F)F)C

DOS

IR

Vibrations