Geometry & MOs

Info

ID:	388671
PubChem CID:	134989836
Reduced:	O2N3C10H17 (1)
Stoich.:	A2B3C10D17 (1)
Weight, g/mol:	246.046299
ΔH_f, kcal/mol:	-78.63
Dipole, Da:	1.98
IP(EA), eV:	-10.52(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-phenyl-3,5-dioxa-4lambda4-thia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NC(=N1)C(C)O)C(C)O

DOS

IR

Vibrations