Geometry & MOs

Info

ID:	419235
PubChem CID:	135107810
Reduced:	NO5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	315.119461
ΔH_f, kcal/mol:	-201.74
Dipole, Da:	5.38
IP(EA), eV:	-9.2(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C(=O)N2CC[C@@H]([C@@H](C2)O)C(=O)O

DOS

IR

Vibrations