Geometry & MOs

Info

ID:	426631
PubChem CID:	135153043
Reduced:	FN3H16C19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	368.120403
ΔH_f, kcal/mol:	51.53
Dipole, Da:	3.75
IP(EA), eV:	-9.65(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-3,3,4,4-tetramethylisoquinolin-1-yl)-8-fluoro-1,2,4-benzotriazine

Drug info:

PubChemData

Smile

CC1(CC2=C(C=CC=C2F)C(=N1)C3=CC4=CC=CC=C4N=N3)C

DOS

IR

Vibrations