Geometry & MOs

Info

ID:	344464
PubChem CID:	127267640
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	1.29
Dipole, Da:	3.05
IP(EA), eV:	-8.68(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)C3CCCN(C3)CC4=CC=CC=C4

DOS

IR

Vibrations