Geometry & MOs

Info

ID:	426632
PubChem CID:	135153044
Reduced:	ClFN4H18C20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	352.149953
ΔH_f, kcal/mol:	57.86
Dipole, Da:	3.82
IP(EA), eV:	-9.61(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-3-(6-fluoro-3,3,4,4-tetramethylisoquinolin-1-yl)-1,2,4-benzotriazine

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC=C2Cl)C(=NC1(C)C)C3=NC4=C(C(=CC=C4)F)N=N3)C

DOS

IR

Vibrations