Geometry & MOs

Info

ID:	146768
PubChem CID:	53746208
Reduced:	F2N2O6H12C15 (1)
Stoich.:	A2B2C6D12E15 (1)
Weight, g/mol:	333.172879
ΔH_f, kcal/mol:	-218.52
Dipole, Da:	0.57
IP(EA), eV:	-9.91(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-cyclopentyl-4-methoxyphenyl)methylidene]-4-methyl-1H-indol-2-one

Drug info:

PubChemData

Smile

CC1=NC=C(C(C1[N+](=O)[O-])C2=CC3=C(C=C2)OC(O3)(F)F)C(=O)OC

DOS

IR

Vibrations