Geometry & MOs

Info

ID:	344452
PubChem CID:	127267628
Reduced:	O3N4C13H20 (1)
Stoich.:	A3B4C13D20 (1)
Weight, g/mol:	356.196074
ΔH_f, kcal/mol:	-66.7
Dipole, Da:	4.39
IP(EA), eV:	-9.51(-0.57)
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]-(2-pyrrolidin-1-ylpyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)C3CCOC3

DOS

IR

Vibrations