Geometry & MOs

Info

ID:	330324
PubChem CID:	127247311
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	302.174276
ΔH_f, kcal/mol:	9.48
Dipole, Da:	7.39
IP(EA), eV:	-9.08(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C(=O)N2CCCCC2C3=C(C=NN3)C)C

DOS

IR

Vibrations