Geometry & MOs

Info

ID:	258827
PubChem CID:	103157162
Reduced:	N2O2C6H9 (2)
Stoich.:	A2B2C6D9 (2)
Weight, g/mol:	278.126657
ΔH_f, kcal/mol:	-149.25
Dipole, Da:	10.51
IP(EA), eV:	-9.39(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1H-indole-3-carbonylamino)-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1CC2=C(CN1)NC=N2

DOS

IR

Vibrations