Geometry & MOs

Info

ID:	81423
PubChem CID:	49854709
Reduced:	N3O4C37H47 (1)
Stoich.:	A3B4C37D47 (1)
Weight, g/mol:	415.189592
ΔH_f, kcal/mol:	-130.85
Dipole, Da:	1.66
IP(EA), eV:	-8.4(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCC(=O)OC(CC)N1C2=C(C(=CC=C2)N3CCN(CC3)CC4=CC(=CC=C4)C5=CC=CC=C5)OC1=O

DOS

IR

Vibrations