Geometry & MOs

Info

ID:	277340
PubChem CID:	103827960
Reduced:	BrO2N3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	237.184112
ΔH_f, kcal/mol:	-2.52
Dipole, Da:	3.21
IP(EA), eV:	-8.96(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CCNCC2=C(C=CC(=C2)OC)Br

DOS

IR

Vibrations