Geometry & MOs

Info

ID:	213214
PubChem CID:	81063180
Reduced:	NO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	260.116092
ΔH_f, kcal/mol:	-172.32
Dipole, Da:	3.54
IP(EA), eV:	-9.2(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C(=O)NCC(C)CC(=O)O)OC1=CC=CC=C1

DOS

IR

Vibrations