Geometry & MOs

Info

ID:	249199
PubChem CID:	103087673
Reduced:	FNSO2C13H18 (1)
Stoich.:	ABCD2E13F18 (1)
Weight, g/mol:	277.124883
ΔH_f, kcal/mol:	-129.88
Dipole, Da:	3.29
IP(EA), eV:	-8.62(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(4-methylsulfanylbutyl)-4-(1,3,4-oxadiazol-2-yl)aniline

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1)F)NCCCCSC

DOS

IR

Vibrations