Geometry & MOs

Info

ID:	342695
PubChem CID:	127265855
Reduced:	ClSN2O2H9C12 (1)
Stoich.:	ABC2D2E9F12 (1)
Weight, g/mol:	272.127326
ΔH_f, kcal/mol:	-5.48
Dipole, Da:	4.26
IP(EA), eV:	-9.36(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-(1-propan-2-ylpyrazol-4-yl)ethenyl]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CN=CN=C1C=CC2=C(C=CS2)Cl

DOS

IR

Vibrations