Geometry & MOs

Info

ID:	275592
PubChem CID:	103816712
Reduced:	NCl2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	321.032334
ΔH_f, kcal/mol:	-56.28
Dipole, Da:	3.64
IP(EA), eV:	-9.38(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](C2=CC=CC=C21)NC(=O)C3=C(C=CC=C3Cl)Cl)O

DOS

IR

Vibrations