Geometry & MOs

Info

ID:	287612
PubChem CID:	104248834
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-61.3
Dipole, Da:	3.23
IP(EA), eV:	-9.17(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline

Drug info:

PubChemData

Smile

CNC1(CCCCC1)CC2=NC(=NO2)CC3CCCCO3

DOS

IR

Vibrations