Geometry & MOs

Info

ID:	436848
PubChem CID:	135212250
Reduced:	NH13C20 (2)
Stoich.:	AB13C20 (2)
Weight, g/mol:	208.076039
ΔH_f, kcal/mol:	195.43
Dipole, Da:	2.68
IP(EA), eV:	-7.92(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-2-amino-4-fluoro-1-hydrazinylidene-3H-isoindole-5-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)N4C(=C(C5=C4N(C6=CC=CC=C65)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C93

DOS

IR

Vibrations