Geometry & MOs

Info

ID:	294525
PubChem CID:	117467080
Reduced:	BrSO2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-75.61
Dipole, Da:	4.29
IP(EA), eV:	-8.87(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-cyclopentyloxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine

Drug info:

PubChemData

Smile

CC(CC1=C(C=CC=C1Br)SC)C(=O)O

DOS

IR

Vibrations