Geometry & MOs

Info

ID:	345803
PubChem CID:	127270103
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	306.205576
ΔH_f, kcal/mol:	-10.29
Dipole, Da:	3.8
IP(EA), eV:	-8.56(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)NC2=CC=C(C=C2)C3=NC=CN3

DOS

IR

Vibrations