Geometry & MOs

Info

ID:	21597
PubChem CID:	589117
Reduced:	N2O2C17H24 (1)
Stoich.:	A2B2C17D24 (1)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	-80.41
Dipole, Da:	4.26
IP(EA), eV:	-8.28(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylamino)-3-[4-(3-methylbutyl)-1H-indol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)CCC1=C2C(=CC=C1)NC=C2CC(C(=O)O)NC

DOS

IR

Vibrations