Geometry & MOs

Info

ID:	429780
PubChem CID:	135169832
Reduced:	ClF3N9H19C23 (1)
Stoich.:	AB3C9D19E23 (1)
Weight, g/mol:	354.09914
ΔH_f, kcal/mol:	42.61
Dipole, Da:	6.63
IP(EA), eV:	-9.27(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-(aminomethylidene)-4,4,4-trifluoro-3-(5-fluoronaphthalen-1-yl)iminobutanoate

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)N4N=CC(=N4)CN)Cl

DOS

IR

Vibrations