Geometry & MOs

Info

ID:

180544

PubChem CID:

76651051

Reduced:

NC29H36 (1)

Stoich.:

AB29C36 (1)

Weight, g/mol:

284.096106

ΔHf, kcal/mol:

129.43

Dipole, Da:

1.7

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.791643

Charge, e:

 0

Chem-info

IUPAC name:

5-fluoro-3-hydroxyimino-1-[(4-methylphenyl)methyl]indol-2-one

Drug info:

PubChemData

Smile

CC=CCC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C4CCCC4)C=CC5CCCC5)C

DOS

IR

Vibrations