Geometry & MOs

Info

ID:	221470
PubChem CID:	85273744
Reduced:	O3N4H14C16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	310.141638
ΔH_f, kcal/mol:	-32.34
Dipole, Da:	3.75
IP(EA), eV:	-8.77(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3a-(phenylmethoxymethyl)-5,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-6,7-diol

Drug info:

PubChemData

Smile

CC(=CC1=COC2=NC(=NC(=C12)N)N)C3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations