Geometry & MOs

Info

ID:	264586
PubChem CID:	103472640
Reduced:	O2N5C13H17 (1)
Stoich.:	A2B5C13D17 (1)
Weight, g/mol:	299.125689
ΔH_f, kcal/mol:	39.25
Dipole, Da:	6.72
IP(EA), eV:	-9.28(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-3-methyl-1-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine

Drug info:

PubChemData

Smile

CC1(CCNCC1)CNC2=C(C=C(C=N2)C#N)[N+](=O)[O-]

DOS

IR

Vibrations