Geometry & MOs

Info

ID:	150090
PubChem CID:	53789776
Reduced:	FO4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	458.175419
ΔH_f, kcal/mol:	-194.68
Dipole, Da:	1.68
IP(EA), eV:	-8.6(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)anilino]methylidene]-5-nitro-1H-indol-2-one

Drug info:

PubChemData

Smile

CCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)OC(C)C(=O)OCC)F

DOS

IR

Vibrations