Geometry & MOs

Info

ID:	304527
PubChem CID:	124756167
Reduced:	ON6C16H22 (1)
Stoich.:	AB6C16D22 (1)
Weight, g/mol:	340.118985
ΔH_f, kcal/mol:	48.31
Dipole, Da:	8.88
IP(EA), eV:	-9.52(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]benzoic acid

Drug info:

PubChemData

Smile

C1CCN([C@@H](C1)C(=O)NCCN2C=NN=N2)CC3=CC=CC=C3

DOS

IR

Vibrations