Geometry & MOs

Info

ID:	330360
PubChem CID:	127247347
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	-18.24
Dipole, Da:	4.87
IP(EA), eV:	-9.61(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)CCC3=NC(=NO3)C(C)C

DOS

IR

Vibrations