Geometry & MOs

Info

ID:	275591
PubChem CID:	103816710
Reduced:	ClNO2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	321.032334
ΔH_f, kcal/mol:	-60.04
Dipole, Da:	2.81
IP(EA), eV:	-9.37(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O)Cl

DOS

IR

Vibrations