Geometry & MOs

Info

ID:	261922
PubChem CID:	103259189
Reduced:	ClNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	293.081871
ΔH_f, kcal/mol:	-127.18
Dipole, Da:	5.55
IP(EA), eV:	-9.51(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)Cl)NCC2CCC(O2)C(=O)O

DOS

IR

Vibrations