Geometry & MOs

Info

ID:	344461
PubChem CID:	127267637
Reduced:	FO2N4C21H27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	321.216475
ΔH_f, kcal/mol:	-61.7
Dipole, Da:	3.0
IP(EA), eV:	-9.36(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)C3(CCCCC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations