Geometry & MOs

Info

ID:	89858
PubChem CID:	49965068
Reduced:	N4O5C15H16 (1)
Stoich.:	A4B5C15D16 (1)
Weight, g/mol:	346.12772
ΔH_f, kcal/mol:	-123.48
Dipole, Da:	4.38
IP(EA), eV:	-9.12(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(6-amino-5-cyanospiro[2H-pyrano[2,3-c]pyrazole-4,4'-6,8-dioxabicyclo[3.2.1]octane]-3-yl)acetate

Drug info:

PubChemData

Smile

COC(=O)CC1=C2C(=NN1)OC(=C(C23CCC4COC3O4)C#N)N

DOS

IR

Vibrations