Geometry & MOs

Info

ID:	396308
PubChem CID:	135028043
Reduced:	SN3H11C16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	282.089209
ΔH_f, kcal/mol:	108.62
Dipole, Da:	3.06
IP(EA), eV:	-9.01(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-14,16-dioxatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),3,5,11,13(17)-hexaen-10-one

Drug info:

PubChemData

Smile

CSC1=C(C(=C(C2=C1CC3=CC=CC=C32)C#N)N)C#N

DOS

IR

Vibrations