Geometry & MOs

Info

ID:	431087
PubChem CID:	135171157
Reduced:	BrON2C4H7 (1)
Stoich.:	ABC2D4E7 (1)
Weight, g/mol:	238.179361
ΔH_f, kcal/mol:	-14.58
Dipole, Da:	3.82
IP(EA), eV:	-10.34(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S)-3-N-ethyl-1-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexane-1,3-diamine

Drug info:

PubChemData

Smile

CC(=N)OC(=N)CBr

DOS

IR

Vibrations