Geometry & MOs

Info

ID:	259141
PubChem CID:	103158348
Reduced:	N2O5C14H20 (1)
Stoich.:	A2B5C14D20 (1)
Weight, g/mol:	286.189257
ΔH_f, kcal/mol:	-202.0
Dipole, Da:	3.93
IP(EA), eV:	-8.98(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclooctylcarbamoylamino)-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations