Geometry & MOs

Info

ID:	165658
PubChem CID:	74579998
Reduced:	O2N5C18H25 (1)
Stoich.:	A2B5C18D25 (1)
Weight, g/mol:	274.095357
ΔH_f, kcal/mol:	-18.58
Dipole, Da:	8.14
IP(EA), eV:	-9.45(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,5-dimethyl-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)C2NC(CC(=O)N2)COC)CC3=CC=NN3

DOS

IR

Vibrations