Geometry & MOs

Info

ID:	362447
PubChem CID:	127307793
Reduced:	O3N5C18H29 (1)
Stoich.:	A3B5C18D29 (1)
Weight, g/mol:	307.200825
ΔH_f, kcal/mol:	-94.48
Dipole, Da:	2.79
IP(EA), eV:	-9.26(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)CNC(=O)C3CCCCC3

DOS

IR

Vibrations