Geometry & MOs

Info

ID:	261904
PubChem CID:	103258200
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	246.100442
ΔH_f, kcal/mol:	-72.02
Dipole, Da:	5.69
IP(EA), eV:	-9.76(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]furan-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CN=CC=C1)NCCOC2=CC=CC=C2C(=O)O

DOS

IR

Vibrations