Geometry & MOs

Info

ID:	258273
PubChem CID:	103152472
Reduced:	BrN2O4C10H13 (1)
Stoich.:	AB2C4D10E13 (1)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	-148.99
Dipole, Da:	5.65
IP(EA), eV:	-9.46(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1=CC(=CN1)Br

DOS

IR

Vibrations