Geometry & MOs

Info

ID:	429858
PubChem CID:	135169911
Reduced:	Cl2F3N9H12C19 (1)
Stoich.:	A2B3C9D12E19 (1)
Weight, g/mol:	432.121385
ΔH_f, kcal/mol:	56.52
Dipole, Da:	6.4
IP(EA), eV:	-9.29(-1.66)
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]-3-quinolin-4-yliminobutanamide

Drug info:

PubChemData

Smile

C1=CC2=NC=C(N2C(=C1)N3C(=C(C=N3)CNC4=CC(=C(N=C4)N5N=CC=N5)Cl)C(F)(F)F)Cl

DOS

IR

Vibrations