Geometry & MOs

Info

ID:	81514
PubChem CID:	49854814
Reduced:	Cl2N3O5C31H41 (1)
Stoich.:	A2B3C5D31E41 (1)
Weight, g/mol:	511.247107
ΔH_f, kcal/mol:	-212.19
Dipole, Da:	9.07
IP(EA), eV:	-8.68(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-3-yl]methyl cyclopentanecarboxylate

Drug info:

PubChemData

Smile

CCCCCCOC(=O)OCN1C(=O)CCC2=C1C=C(C=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations