Geometry & MOs

Info

ID:	284335
PubChem CID:	104044488
Reduced:	NO3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-165.81
Dipole, Da:	3.21
IP(EA), eV:	-9.33(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethyloxan-4-yl) 3-(2-methylanilino)propanoate

Drug info:

PubChemData

Smile

CCC(C(=O)OC1CC(OC(C1)C)C)NC

DOS

IR

Vibrations