Geometry & MOs

Info

ID:	81234
PubChem CID:	49854491
Reduced:	N4O4C37H48 (1)
Stoich.:	A4B4C37D48 (1)
Weight, g/mol:	548.242356
ΔH_f, kcal/mol:	-128.68
Dipole, Da:	4.6
IP(EA), eV:	-8.36(-0.16)
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 N-benzylcarbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations