Geometry & MOs

Info

ID:	259042
PubChem CID:	103158075
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	217.167794
ΔH_f, kcal/mol:	-112.33
Dipole, Da:	1.88
IP(EA), eV:	-9.53(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylpentan-2-yl 4-amino-3-methoxybutanoate

Drug info:

PubChemData

Smile

COC(CC(=O)OCC1=CC=CC=C1)CN

DOS

IR

Vibrations