Geometry & MOs

Info

ID:	260191
PubChem CID:	103184079
Reduced:	ClNO2C12H24 (1)
Stoich.:	ABC2D12E24 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-94.56
Dipole, Da:	3.89
IP(EA), eV:	-9.12(1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1,4-benzoxazepin-5-one

Drug info:

PubChemData

Smile

COCCCOCCNCC1(CC1)CCCl

DOS

IR

Vibrations