Geometry & MOs

Info

ID:	346310
PubChem CID:	127270814
Reduced:	O3N4H20C21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	378.180424
ΔH_f, kcal/mol:	2.88
Dipole, Da:	2.93
IP(EA), eV:	-9.56(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclopropyl-1-methylpyrazol-4-yl)-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC(=NO2)C3=CC=CC=N3)C(=O)C4=CC5=C(COC5)C=C4

DOS

IR

Vibrations