Geometry & MOs

Info

ID:	307903
PubChem CID:	125310683
Reduced:	ClON3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	307.128054
ΔH_f, kcal/mol:	23.55
Dipole, Da:	3.26
IP(EA), eV:	-9.61(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(3S)-5-methyl-2-(4-methyl-6-oxo-5H-pyrimidin-2-yl)-3,4-dihydropyrazol-3-yl]amino]-2-oxoacetate

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=NN=C(C2)C3=CC=CC=C3Cl

DOS

IR

Vibrations