Geometry & MOs

Info

ID:	381639
PubChem CID:	134972435
Reduced:	NO2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	306.183109
ΔH_f, kcal/mol:	-162.26
Dipole, Da:	1.38
IP(EA), eV:	-9.33(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(4R,6R)-2,2-dimethyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)NN(C1=CC2CCC1(C2(C)C)C)C(=O)OCC

DOS

IR

Vibrations