Geometry & MOs

Info

ID:	172171
PubChem CID:	75475258
Reduced:	ClO3N5H18C19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	343.200825
ΔH_f, kcal/mol:	21.02
Dipole, Da:	4.83
IP(EA), eV:	-9.46(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopentyl-[2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC(=NO2)C3COCCN3C(=O)/C=C/C4=CC=C(C=C4)Cl

DOS

IR

Vibrations