Geometry & MOs

Info

ID:	180957
PubChem CID:	76711979
Reduced:	ON2C52H70 (1)
Stoich.:	AB2C52D70 (1)
Weight, g/mol:	390.137971
ΔH_f, kcal/mol:	-0.17
Dipole, Da:	6.96
IP(EA), eV:	-8.5(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-fluoro-2-methylphenyl)methyl]-5-methyl-3-(2-oxo-3H-pyridin-3-yl)indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCC1(C2=C(C=CC(=C2)C)C3=C1C=C(C=C3)C=C(C4=CC(=C(C=C4C)C(=CC)C#N)OCC(CC)CCCC)[N+]#[C-])CCCCCCCC

DOS

IR

Vibrations