Geometry & MOs

Info

ID:	258585
PubChem CID:	103155461
Reduced:	O2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	234.121572
ΔH_f, kcal/mol:	-21.33
Dipole, Da:	3.85
IP(EA), eV:	-9.4(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-3-methoxybutanoyl)amino]-4-hydroxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)NCC1=CC=CC=C1N2C=CC=N2)CN

DOS

IR

Vibrations