Geometry & MOs

Info

ID:	23157
PubChem CID:	602533
Reduced:	NO3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	253.167794
ΔH_f, kcal/mol:	-134.98
Dipole, Da:	7.66
IP(EA), eV:	-9.39(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-2-(diethylaminomethyl)furan-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC)CC1=C(C=C(O1)C(C)(C)C)C(=O)O

DOS

IR

Vibrations