Geometry & MOs

Info

ID:	421031
PubChem CID:	135115259
Reduced:	ON6C20H26 (1)
Stoich.:	AB6C20D26 (1)
Weight, g/mol:	300.119796
ΔH_f, kcal/mol:	18.73
Dipole, Da:	6.76
IP(EA), eV:	-8.62(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminopropan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine

Drug info:

PubChemData

Smile

CCC1=CC(=NC=N1)N2CCN(CC2)C3=C(C=CC=N3)C(=O)N4CCCC4

DOS

IR

Vibrations