Geometry & MOs

Info

ID:	138530
PubChem CID:	52380512
Reduced:	ON4C19H34 (1)
Stoich.:	AB4C19D34 (1)
Weight, g/mol:	367.153206
ΔH_f, kcal/mol:	-33.71
Dipole, Da:	4.38
IP(EA), eV:	-8.75(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-oxo-5-phenoxy-1-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](CCC=C(C)C)CN1CCC(CC1)N2C=C(N=N2)C(C)(C)O

DOS

IR

Vibrations