Geometry & MOs

Info

ID:	172618
PubChem CID:	75530999
Reduced:	O2C5N5H11 (1)
Stoich.:	A2B5C5D11 (1)
Weight, g/mol:	231.038624
ΔH_f, kcal/mol:	-47.0
Dipole, Da:	4.36
IP(EA), eV:	-9.34(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=NC(=NN1)N.O

DOS

IR

Vibrations