Geometry & MOs

Info

ID:	426661
PubChem CID:	135153212
Reduced:	ClSN3H18C19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	376.070259
ΔH_f, kcal/mol:	84.09
Dipole, Da:	1.8
IP(EA), eV:	-8.98(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=C(C(=NC1(C)C)C3=NC4=CC=CC=C4C(=N3)Cl)SC=C2)C

DOS

IR

Vibrations