Geometry & MOs

Info

ID:	429752
PubChem CID:	135169803
Reduced:	O2F3N3H16C17 (1)
Stoich.:	A2B3C3D16E17 (1)
Weight, g/mol:	355.094389
ΔH_f, kcal/mol:	-181.95
Dipole, Da:	4.39
IP(EA), eV:	-9.23(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-(aminomethylidene)-4,4,4-trifluoro-3-(8-fluoroisoquinolin-4-yl)iminobutanoate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/N)/C(=NC1=CC=CC2=C1C=CC(=N2)C)C(F)(F)F

DOS

IR

Vibrations