Geometry & MOs

Info

ID:	213871
PubChem CID:	81065502
Reduced:	ClN2O5C13H15 (1)
Stoich.:	AB2C5D13E15 (1)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	-135.62
Dipole, Da:	3.0
IP(EA), eV:	-10.32(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl

DOS

IR

Vibrations