Geometry & MOs

Info

ID:	426652
PubChem CID:	135153142
Reduced:	OF3N3H16C20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	364.169939
ΔH_f, kcal/mol:	-115.85
Dipole, Da:	1.05
IP(EA), eV:	-9.6(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-8-methoxy-3-(3,3,4,4-tetramethylisoquinolin-1-yl)-1,2,4-benzotriazine

Drug info:

PubChemData

Smile

CC1(CC2=C(C=CC(=C2)OC(F)(F)F)C(=N1)C3=CC4=NC=CN=C4C=C3)C

DOS

IR

Vibrations