Geometry & MOs

Info

ID:	296215
PubChem CID:	117561204
Reduced:	FO2N3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	249.100108
ΔH_f, kcal/mol:	-97.37
Dipole, Da:	2.92
IP(EA), eV:	-8.91(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydroindol-1-ylmethyl)butanedioic acid

Drug info:

PubChemData

Smile

CCCNC1=NC2=C(N1CCC(=O)O)C=CC(=C2)F

DOS

IR

Vibrations