Geometry & MOs

Info

ID:	151052
PubChem CID:	53790749
Reduced:	Cl3N3O3C26H32 (1)
Stoich.:	A3B3C3D26E32 (1)
Weight, g/mol:	427.235873
ΔH_f, kcal/mol:	-122.73
Dipole, Da:	10.46
IP(EA), eV:	-8.7(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]hexoxy]propanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)NCC2CCN(CC2)CCCCCC(=O)C3=C(C(=CC=C3)Cl)Cl)Cl)N

DOS

IR

Vibrations