Geometry & MOs

Info

ID:	264128
PubChem CID:	103431023
Reduced:	O2N4H14C15 (1)
Stoich.:	A2B4C14D15 (1)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	11.29
Dipole, Da:	4.63
IP(EA), eV:	-9.28(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dimethyl-2-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C)C(=O)O)C2=NN=C3N2N=C(C=C3)C

DOS

IR

Vibrations