Geometry & MOs

Info

ID:	216251
PubChem CID:	85085951
Reduced:	ON2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	246.146724
ΔH_f, kcal/mol:	21.32
Dipole, Da:	10.92
IP(EA), eV:	-9.14(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)C3=NC(=O)C(=O)N=C3C=C2N

DOS

IR

Vibrations