Geometry & MOs

Info

ID:	81322
PubChem CID:	49854600
Reduced:	N3O4C39H51 (1)
Stoich.:	A3B4C39D51 (1)
Weight, g/mol:	499.247107
ΔH_f, kcal/mol:	-141.51
Dipole, Da:	3.99
IP(EA), eV:	-8.41(-0.22)
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 2-methylbutanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations