Geometry & MOs

Info

ID:	131127
PubChem CID:	51160132
Reduced:	FN3O4C17H18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	353.083413
ΔH_f, kcal/mol:	-86.68
Dipole, Da:	3.01
IP(EA), eV:	-8.61(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(3-cyanophenoxy)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1=CC=CC=C1OC)C2=C(C=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations