Geometry & MOs

Info

ID:	429604
PubChem CID:	135169653
Reduced:	ClF3N7H19C23 (1)
Stoich.:	AB3C7D19E23 (1)
Weight, g/mol:	500.108769
ΔH_f, kcal/mol:	7.81
Dipole, Da:	7.86
IP(EA), eV:	-9.06(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-N-[5-chloro-6-(4-methyltriazol-2-yl)pyridin-3-yl]-4,4,4-trifluoro-3-quinolin-5-yliminobutanamide

Drug info:

PubChemData

Smile

C=C(/C(=C/N)/C(=NC1=CC=CC2=C1C=CC=N2)C(F)(F)F)NC3=CC(=C(N=C3)C(=N)CC=N)Cl

DOS

IR

Vibrations