Geometry & MOs

Info

ID:	81047
PubChem CID:	49854287
Reduced:	N3O5C35H43 (1)
Stoich.:	A3B5C35D43 (1)
Weight, g/mol:	641.382872
ΔH_f, kcal/mol:	-137.48
Dipole, Da:	4.61
IP(EA), eV:	-8.59(0.0)
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 tridecyl carbonate

Drug info:

PubChemData

Smile

CCCCCCCCCOC(=O)OCN1C2=C(C(=CC=C2)N3CCN(CC3)CC4=CC(=CC=C4)C5=CC=CC=C5)OC1=O

DOS

IR

Vibrations