Geometry & MOs

Info

ID:	361458
PubChem CID:	127303546
Reduced:	O3N4C16H26 (1)
Stoich.:	A3B4C16D26 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-87.64
Dipole, Da:	5.14
IP(EA), eV:	-9.34(-0.38)
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]-[4-(4-methylphenyl)oxan-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)CCC3CCCCO3

DOS

IR

Vibrations