Geometry & MOs

Info

ID:	372549
PubChem CID:	131299576
Reduced:	N3O3H7C9 (1)
Stoich.:	A3B3C7D9 (1)
Weight, g/mol:	205.037508
ΔH_f, kcal/mol:	-39.14
Dipole, Da:	2.6
IP(EA), eV:	-10.36(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl cyanide

Drug info:

PubChemData

Smile

C1C(=CC(=NC1=O)C2=CNN=C2)C(=O)O

DOS

IR

Vibrations