Geometry & MOs

Info

ID:	449910
PubChem CID:	135302467
Reduced:	NOC7H7 (4)
Stoich.:	ABC7D7 (4)
Weight, g/mol:	513.156767
ΔH_f, kcal/mol:	-53.35
Dipole, Da:	5.43
IP(EA), eV:	-8.5(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CNC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)C(=O)N4CCN(CC4)C(C5=CC=CC=C5)C(=O)OC

DOS

IR

Vibrations