Geometry & MOs

Info

ID:	204804
PubChem CID:	80010729
Reduced:	NO3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	225.136493
ΔH_f, kcal/mol:	-127.61
Dipole, Da:	3.71
IP(EA), eV:	-9.68(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexyl 5-(aminomethyl)furan-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCC(C)OC(=O)C1=CC=C(O1)CN

DOS

IR

Vibrations