Geometry & MOs

Info

ID:	81135
PubChem CID:	49854389
Reduced:	N3O6H25C26 (1)
Stoich.:	A3B6C25D26 (1)
Weight, g/mol:	541.294057
ΔH_f, kcal/mol:	-166.43
Dipole, Da:	5.39
IP(EA), eV:	-8.59(-0.68)
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 octanoate

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC(=CC=C2)C3=CC=CC=C3)C4=CC=CC5=C4OC(=O)N5C(O)OC(=O)O

DOS

IR

Vibrations