Geometry & MOs

Info

ID:	220450
PubChem CID:	85195404
Reduced:	ON5C10H11 (1)
Stoich.:	AB5C10D11 (1)
Weight, g/mol:	218.115424
ΔH_f, kcal/mol:	54.86
Dipole, Da:	3.05
IP(EA), eV:	-8.9(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(5-hydroxy-2-methyl-1,3-dioxan-4-yl)propanoate

Drug info:

PubChemData

Smile

C1CC2C(C1N3C=NC4=C(N=CN=C43)N)O2

DOS

IR

Vibrations