Geometry & MOs

Info

ID:	261823
PubChem CID:	103253242
Reduced:	NO4C16H25 (1)
Stoich.:	AB4C16D25 (1)
Weight, g/mol:	273.136493
ΔH_f, kcal/mol:	-164.84
Dipole, Da:	4.15
IP(EA), eV:	-9.53(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2-ethylphenyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(O1)C(=O)OC)NCC2(CCCCCC2)O

DOS

IR

Vibrations