Geometry & MOs

Info

ID:	449897
PubChem CID:	135302381
Reduced:	FO3N5H24C28 (1)
Stoich.:	AB3C5D24E28 (1)
Weight, g/mol:	497.186318
ΔH_f, kcal/mol:	-8.04
Dipole, Da:	7.53
IP(EA), eV:	-9.29(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C(C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)C5=NC6=CC=CC=C6O5)F

DOS

IR

Vibrations