Geometry & MOs

Info

ID:	426630
PubChem CID:	135153042
Reduced:	ClF2N3H16C20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	305.132826
ΔH_f, kcal/mol:	-1.25
Dipole, Da:	4.19
IP(EA), eV:	-9.52(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C2=C(C=CC=C2Cl)C(=NC1(C)C)C3=NN=C4C(=C3)C=CC(=C4F)F

DOS

IR

Vibrations