Geometry & MOs

Info

ID:	220847
PubChem CID:	85240171
Reduced:	O2N4H8C15 (1)
Stoich.:	A2B4C8D15 (1)
Weight, g/mol:	278.136553
ΔH_f, kcal/mol:	86.47
Dipole, Da:	2.67
IP(EA), eV:	-9.72(-3.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,7-trimethoxy-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-8-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C3N2C(=O)C(=C4C=CC(=O)C=C4)N=N3

DOS

IR

Vibrations