Geometry & MOs

Info

ID:	342347
PubChem CID:	127265170
Reduced:	NO4H17C20 (1)
Stoich.:	AB4C17D20 (1)
Weight, g/mol:	334.088832
ΔH_f, kcal/mol:	-56.79
Dipole, Da:	4.46
IP(EA), eV:	-8.9(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1-phenylpyrazol-3-yl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C=C(C#N)C(=O)C2=C3C(=CC=C2)OCCO3

DOS

IR

Vibrations