Geometry & MOs

Info

ID:	261694
PubChem CID:	103245830
Reduced:	N2O5C13H16 (1)
Stoich.:	A2B5C13D16 (1)
Weight, g/mol:	273.136493
ΔH_f, kcal/mol:	-117.62
Dipole, Da:	2.83
IP(EA), eV:	-9.76(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[[1-(4-methylphenyl)ethylamino]methyl]furan-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(OC1CNCC2=CC=CC=C2[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations