Geometry & MOs

Info

ID:	224215
PubChem CID:	85340154
Reduced:	ON4H16C17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	294.105608
ΔH_f, kcal/mol:	44.82
Dipole, Da:	5.72
IP(EA), eV:	-8.81(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(4-fluorophenyl)methylidene]-2-methylinden-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(NC(=O)NN2)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations