Geometry & MOs

Info

ID:	285469
PubChem CID:	104108198
Reduced:	ClON3C12H20 (1)
Stoich.:	ABC3D12E20 (1)
Weight, g/mol:	199.193614
ΔH_f, kcal/mol:	-58.42
Dipole, Da:	4.45
IP(EA), eV:	-9.36(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-5,7-dimethyl-2-propyl-1,4-oxazepane

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)Cl)NC(C)CC(C)O

DOS

IR

Vibrations