Geometry & MOs

Info

ID:	429844
PubChem CID:	135169897
Reduced:	ClF3O3N8H20C23 (1)
Stoich.:	AB3C3D8E20F23 (1)
Weight, g/mol:	440.120858
ΔH_f, kcal/mol:	-122.5
Dipole, Da:	8.18
IP(EA), eV:	-8.59(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-N-(5-cyano-6-methoxypyridin-3-yl)-4,4,4-trifluoro-3-isoquinolin-4-yliminobutanamide

Drug info:

PubChemData

Smile

COC1=NC=CC2=C1C=CC=C2N3C(=C(C=N3)C(=O)NC4=CC(=C(N=C4)N(/C(=C\N)/CO)N)Cl)C(F)(F)F

DOS

IR

Vibrations