Geometry & MOs

Info

ID:	278795
PubChem CID:	103838258
Reduced:	NO2F3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	265.215413
ΔH_f, kcal/mol:	-229.62
Dipole, Da:	5.46
IP(EA), eV:	-8.86(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylcycloheptan-1-amine

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2C1CNCC(C(F)(F)F)O

DOS

IR

Vibrations