Geometry & MOs

Info

ID:	261913
PubChem CID:	103258808
Reduced:	N3O3H13C15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	273.136493
ΔH_f, kcal/mol:	-4.22
Dipole, Da:	6.94
IP(EA), eV:	-9.45(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]furan-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)CNCC3=CC(=NO3)C(=O)O)N=CC=C2

DOS

IR

Vibrations