Geometry & MOs

Info

ID:	132611
PubChem CID:	51386006
Reduced:	O2N5C20H37 (1)
Stoich.:	A2B5C20D37 (1)
Weight, g/mol:	305.162708
ΔH_f, kcal/mol:	-129.88
Dipole, Da:	6.92
IP(EA), eV:	-9.27(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,5R,6R,7R)-3-cyclohexyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate

Drug info:

PubChemData

Smile

CCCCN1C(C(CC2C1NC3C(CCCN3C2=O)C)C(=O)NC(C)C)N

DOS

IR

Vibrations