Geometry & MOs

Info

ID:	444769
PubChem CID:	135263514
Reduced:	N2O2C20H23 (2)
Stoich.:	A2B2C20D23 (2)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-110.49
Dipole, Da:	4.53
IP(EA), eV:	-8.65(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(1H-indol-3-yl)propan-2-ylamino]propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3=CC=CC=C32)CC(CCC(CC4C5=CC=CC=C5C6=CC=CC=C46)N(CCCN)C(=O)O)N(CCCN)C(=O)O

DOS

IR

Vibrations