Geometry & MOs

Info

ID:	54935
PubChem CID:	17389565
Reduced:	ClNO4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	273.113171
ΔH_f, kcal/mol:	-132.2
Dipole, Da:	5.26
IP(EA), eV:	-9.5(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(cyclohexylamino)methyl]furan-2-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(O1)CNCC2=CC=CO2.Cl

DOS

IR

Vibrations