Geometry & MOs

Info

ID:	69328
PubChem CID:	46530701
Reduced:	N3O5H27C28 (1)
Stoich.:	A3B5C27D28 (1)
Weight, g/mol:	413.206304
ΔH_f, kcal/mol:	-93.28
Dipole, Da:	6.55
IP(EA), eV:	-8.68(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=NN(C=C2C(=O)NCCC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4)OC

DOS

IR

Vibrations