Geometry & MOs

Info

ID:	449898
PubChem CID:	135302383
Reduced:	FO3N5H24C28 (1)
Stoich.:	AB3C5D24E28 (1)
Weight, g/mol:	489.145534
ΔH_f, kcal/mol:	-8.26
Dipole, Da:	6.29
IP(EA), eV:	-9.32(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[3-(5-chloro-1,3-benzoxazol-2-yl)benzoyl]piperazin-1-yl]-2-phenylacetate

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C(C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CC(=C4)C5=NC6=C(O5)C=CC(=C6)F

DOS

IR

Vibrations