Geometry & MOs

Info

ID:	31147
PubChem CID:	854766
Reduced:	NO2H17C19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	241.040879
ΔH_f, kcal/mol:	-18.25
Dipole, Da:	5.47
IP(EA), eV:	-8.92(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-carboxypropyl]sulfanylpyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations