Geometry & MOs

Info

ID:	351201
PubChem CID:	127279759
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	303.169525
ΔH_f, kcal/mol:	-77.07
Dipole, Da:	4.71
IP(EA), eV:	-8.88(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,5-dimethylpyrazol-3-yl)-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)C(=O)C3=CC=C(C=C3)OCC4CCCCC4

DOS

IR

Vibrations