Geometry & MOs

Info

ID:	258769
PubChem CID:	103156931
Reduced:	N2O4C11H20 (1)
Stoich.:	A2B4C11D20 (1)
Weight, g/mol:	274.189257
ΔH_f, kcal/mol:	-196.7
Dipole, Da:	7.07
IP(EA), eV:	-9.73(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3S)-3-(aminomethyl)-5-methylhexanoyl]amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1CCC(C1)N

DOS

IR

Vibrations