Geometry & MOs

Info

ID:	429708
PubChem CID:	135169759
Reduced:	ClOF3N7H19C25 (1)
Stoich.:	ABC3D7E19F25 (1)
Weight, g/mol:	294.072845
ΔH_f, kcal/mol:	-29.22
Dipole, Da:	4.63
IP(EA), eV:	-8.89(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-4,4,4-trifluoro-3-(1,6-naphthyridin-5-ylimino)butanal

Drug info:

PubChemData

Smile

CNCC1=CN(N=C1)C2=C(C=C(C=C2)NC(=O)C3=C(N(N=C3)C4=CC=CC5=C4C=CC=N5)C(F)(F)F)Cl

DOS

IR

Vibrations