Geometry & MOs

Info

ID:	22442
PubChem CID:	597199
Reduced:	NO3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	183.089543
ΔH_f, kcal/mol:	-108.44
Dipole, Da:	3.1
IP(EA), eV:	-9.47(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(aminomethyl)-5-methylfuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(O1)C)CN

DOS

IR

Vibrations