Geometry & MOs

Info

ID:	261938
PubChem CID:	103260137
Reduced:	ClO2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	293.081871
ΔH_f, kcal/mol:	-27.41
Dipole, Da:	3.34
IP(EA), eV:	-9.31(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-5-methylfuran-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1Cl)NCC2=NC=NC=C2C(=O)O

DOS

IR

Vibrations