Geometry & MOs

Info

ID:	275915
PubChem CID:	103819078
Reduced:	ClN2O2H13C15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	412.96795
ΔH_f, kcal/mol:	-36.87
Dipole, Da:	3.31
IP(EA), eV:	-9.45(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-iodobenzamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](C2=CC=CC=C21)NC(=O)C3=NC=CC(=C3)Cl)O

DOS

IR

Vibrations