Geometry & MOs

Info

ID:	184380
PubChem CID:	77154111
Reduced:	ClN2O5C28H33 (1)
Stoich.:	AB2C5D28E33 (1)
Weight, g/mol:	239.126991
ΔH_f, kcal/mol:	-185.62
Dipole, Da:	2.79
IP(EA), eV:	-9.46(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-2-yl 2-amino-3-imidazol-1-ylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)C(C(C1=CC=C(C=C1)Cl)C(=O)N2C(COC2=O)CC3=CC=CC=C3)N(CC4CC4)C(=O)O

DOS

IR

Vibrations