Geometry & MOs

Info

ID:	67722
PubChem CID:	46507033
Reduced:	O2F3N3S3H18C22 (1)
Stoich.:	A2B3C3D3E18F22 (1)
Weight, g/mol:	331.14331
ΔH_f, kcal/mol:	-143.9
Dipole, Da:	6.85
IP(EA), eV:	-8.5(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]aniline

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC4=CC(=CC=C4)C(F)(F)F)C)SC2=S

DOS

IR

Vibrations