Geometry & MOs

Info

ID:	286220
PubChem CID:	104162699
Reduced:	NO5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	301.077265
ΔH_f, kcal/mol:	-176.2
Dipole, Da:	9.06
IP(EA), eV:	-9.16(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylthiophene-3-carbonyl)-2,3-dihydroindole-6-carboxylic acid

Drug info:

PubChemData

Smile

COCCOCC(=O)N1CCC2=C1C=C(C=C2)C(=O)O

DOS

IR

Vibrations