Geometry & MOs

Info

ID:	151569
PubChem CID:	53837802
Reduced:	ClO3N5C11H14 (1)
Stoich.:	AB3C5D11E14 (1)
Weight, g/mol:	296.09277
ΔH_f, kcal/mol:	-89.91
Dipole, Da:	3.52
IP(EA), eV:	-9.02(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(5-chloro-1,3-dimethylpyrazol-4-yl)-5-oxocyclohexen-1-yl] propanoate

Drug info:

PubChemData

Smile

C1C(CN2C(=O)C3=C(NC2=N1)N=CN3CC(CCl)O)O

DOS

IR

Vibrations