Geometry & MOs

Info

ID:	197950
PubChem CID:	79020219
Reduced:	BrOC18H19 (1)
Stoich.:	ABC18D19 (1)
Weight, g/mol:	212.116092
ΔH_f, kcal/mol:	-14.43
Dipole, Da:	3.38
IP(EA), eV:	-9.64(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)C(C)(C)C)Br

DOS

IR

Vibrations