Geometry & MOs

Info

ID:	429570
PubChem CID:	135169619
Reduced:	OF3N10H15C21 (1)
Stoich.:	AB3C10D15E21 (1)
Weight, g/mol:	327.083076
ΔH_f, kcal/mol:	29.39
Dipole, Da:	10.89
IP(EA), eV:	-8.88(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-(aminomethylidene)-4,4,4-trifluoro-3-furo[3,2-c]pyridin-4-yliminobutanoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C(=C\N)/N2C(=C(C=N2)C(=O)NC3=CC(=C(N=C3)N4N=CC=N4)C#N)C(F)(F)F)N

DOS

IR

Vibrations