Geometry & MOs

Info

ID:	258706
PubChem CID:	103156486
Reduced:	N2O5C14H18 (1)
Stoich.:	A2B5C14D18 (1)
Weight, g/mol:	246.157957
ΔH_f, kcal/mol:	-181.82
Dipole, Da:	8.12
IP(EA), eV:	-9.28(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4-amino-3-methoxybutanoyl)amino]methyl]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)N1CCOC2=C(C=CC=C21)C(=O)O)CN

DOS

IR

Vibrations