Geometry & MOs

Info

ID:	287611
PubChem CID:	104248828
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	-51.17
Dipole, Da:	1.98
IP(EA), eV:	-9.48(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

CCC1(CCNC1)C2=NC(=NO2)CC3CCCCO3

DOS

IR

Vibrations