Geometry & MOs

Info

ID:	213318
PubChem CID:	81063443
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	260.116092
ΔH_f, kcal/mol:	-86.97
Dipole, Da:	7.53
IP(EA), eV:	-9.4(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-indole-3-carbonylamino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CN2C=CC=CC2=N1

DOS

IR

Vibrations