Geometry & MOs

Info

ID:	81045
PubChem CID:	49854285
Reduced:	Cl2N3O4C40H57 (1)
Stoich.:	A2B3C4D40E57 (1)
Weight, g/mol:	543.273321
ΔH_f, kcal/mol:	-199.49
Dipole, Da:	6.73
IP(EA), eV:	-8.74(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexyl [2-oxo-7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-3-yl]methyl carbonate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OCN1C(=O)C=CC2=C1C=C(C=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations