Geometry & MOs

Info

ID:	286608
PubChem CID:	104179433
Reduced:	BrSN2O2C13H15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	275.14339
ΔH_f, kcal/mol:	-34.98
Dipole, Da:	3.14
IP(EA), eV:	-8.91(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1O)CNCC2=C(C=CS2)Br)CO

DOS

IR

Vibrations