Geometry & MOs

Info

ID:	349740
PubChem CID:	127275902
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	399.146203
ΔH_f, kcal/mol:	15.66
Dipole, Da:	6.11
IP(EA), eV:	-8.92(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3CCCC(C3)C4=NOC(=N4)C(C)C

DOS

IR

Vibrations