Geometry & MOs

Info

ID:	261890
PubChem CID:	103257166
Reduced:	FN2O3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	307.097521
ΔH_f, kcal/mol:	-85.72
Dipole, Da:	6.38
IP(EA), eV:	-9.75(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)F)NCC2=CC(=NO2)C(=O)O

DOS

IR

Vibrations