Geometry & MOs

Info

ID:	429735
PubChem CID:	135169786
Reduced:	OF3N3H12C15 (1)
Stoich.:	AB3C3D12E15 (1)
Weight, g/mol:	500.108769
ΔH_f, kcal/mol:	-119.17
Dipole, Da:	5.9
IP(EA), eV:	-9.19(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-N-[5-chloro-6-(triazol-2-yl)pyridin-3-yl]-4,4,4-trifluoro-3-(4-methylisoquinolin-8-yl)iminobutanamide

Drug info:

PubChemData

Smile

CC(=O)/C(=C/N)/C(=NC1=CN=CC2=CC=CC=C21)C(F)(F)F

DOS

IR

Vibrations