Geometry & MOs

Info

ID:	395328
PubChem CID:	135025202
Reduced:	INO2F3H5C8 (1)
Stoich.:	ABC2D3E5F8 (1)
Weight, g/mol:	212.107539
ΔH_f, kcal/mol:	-193.53
Dipole, Da:	3.54
IP(EA), eV:	-9.52(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-anilino-1-cyclopenta-2,4-dien-1-ylidenepropan-1-olate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)I)NC(=O)C(F)(F)F)O

DOS

IR

Vibrations