Geometry & MOs

Info

ID:	268908
PubChem CID:	103602136
Reduced:	ISN2O2H13C14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	331.02079
ΔH_f, kcal/mol:	-19.89
Dipole, Da:	3.61
IP(EA), eV:	-9.0(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(2,3-dihydro-1H-inden-5-yl)-2-hydroxybenzamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)I)O

DOS

IR

Vibrations