Geometry & MOs

Info

ID:	57665
PubChem CID:	22431817
Reduced:	ClN3O3H12C15 (1)
Stoich.:	AB3C3D12E15 (1)
Weight, g/mol:	333.124405
ΔH_f, kcal/mol:	-19.01
Dipole, Da:	1.27
IP(EA), eV:	-9.67(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-chlorophenyl)methyl]-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)CC2=NN=C(O2)C(=O)NCC3=CC=CO3

DOS

IR

Vibrations