Geometry & MOs

Info

ID:	429581
PubChem CID:	135169630
Reduced:	ClOF3N9H15C24 (1)
Stoich.:	ABC3D9E15F24 (1)
Weight, g/mol:	409.115045
ΔH_f, kcal/mol:	47.22
Dipole, Da:	4.2
IP(EA), eV:	-8.92(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-N-(5-cyanopyridin-3-yl)-4,4,4-trifluoro-3-naphthalen-1-yliminobutanamide

Drug info:

PubChemData

Smile

C1=CC2C(=NN(N2)C3=C(C=C(C=N3)NC(=O)C4=C(N(N=C4)C5=CC=CC6=C5C=CC=N6)C(F)(F)F)Cl)N=C1

DOS

IR

Vibrations