Geometry & MOs

Info

ID:	261920
PubChem CID:	103259016
Reduced:	O2N3C9H21 (1)
Stoich.:	A2B3C9D21 (1)
Weight, g/mol:	293.081871
ΔH_f, kcal/mol:	-113.48
Dipole, Da:	2.98
IP(EA), eV:	-9.45(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CCO)CNCC(C(=O)N)N

DOS

IR

Vibrations