Geometry & MOs

Info

ID:	410703
PubChem CID:	135083504
Reduced:	N3O7C9H13 (1)
Stoich.:	A3B7C9D13 (1)
Weight, g/mol:	164.08373
ΔH_f, kcal/mol:	-273.59
Dipole, Da:	6.32
IP(EA), eV:	-9.58(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,6-tetrahydro-1,5-benzodioxocine

Drug info:

PubChemData

Smile

C([C@@H]1[C@H]([C@@H]([C@@H](O1)OC2=C(N=C(NC2=O)N)O)O)O)O

DOS

IR

Vibrations