Geometry & MOs

Info

ID:	361697
PubChem CID:	127304412
Reduced:	FO2N4C21H27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	278.174276
ΔH_f, kcal/mol:	-52.47
Dipole, Da:	4.26
IP(EA), eV:	-9.11(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C3(CCCC3)C4=CC=CC=C4F

DOS

IR

Vibrations