Geometry & MOs

Info

ID:	203557
PubChem CID:	79845640
Reduced:	NS2O5C13H21 (1)
Stoich.:	AB2C5D13E21 (1)
Weight, g/mol:	263.08254
ΔH_f, kcal/mol:	-218.43
Dipole, Da:	4.91
IP(EA), eV:	-9.41(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)S(=O)(=O)N(C)CCS(=O)(=O)C)CO

DOS

IR

Vibrations