Geometry & MOs

Info

ID:	330341
PubChem CID:	127247328
Reduced:	O2N5C16H23 (1)
Stoich.:	A2B5C16D23 (1)
Weight, g/mol:	318.169191
ΔH_f, kcal/mol:	-14.72
Dipole, Da:	5.28
IP(EA), eV:	-9.32(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxy-1,2-oxazol-5-yl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CCC(=O)N2CCCCC2C3=C(C=NN3)C

DOS

IR

Vibrations