Geometry & MOs

Info

ID:	361636
PubChem CID:	127303930
Reduced:	O2N7C12H17 (1)
Stoich.:	A2B7C12D17 (1)
Weight, g/mol:	320.221226
ΔH_f, kcal/mol:	42.66
Dipole, Da:	2.59
IP(EA), eV:	-9.0(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cycloheptyl-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2CCN(CC2)C(=O)C3=NNN=C3

DOS

IR

Vibrations