Geometry & MOs

Info

ID:	324071
PubChem CID:	126676875
Reduced:	S3N4C16H16 (1)
Stoich.:	A3B4C16D16 (1)
Weight, g/mol:	183.100777
ΔH_f, kcal/mol:	110.23
Dipole, Da:	2.39
IP(EA), eV:	-8.33(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(3-aminocyclobutyl)-1,2,4-oxadiazol-3-yl]ethanol

Drug info:

PubChemData

Smile

CCS/C(=C(/C)\N=C)/C1=CSC(=N1)NC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations