Geometry & MOs

Info

ID:	258362
PubChem CID:	103153204
Reduced:	BrN2O6C12H15 (1)
Stoich.:	AB2C6D12E15 (1)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	-216.63
Dipole, Da:	4.52
IP(EA), eV:	-9.95(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-indole-5-carbonylamino)-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)CNC(=O)C1=CC=C(O1)Br

DOS

IR

Vibrations