Geometry & MOs

Info

ID:	289496
PubChem CID:	104358360
Reduced:	BrClO3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	350.96617
ΔH_f, kcal/mol:	-83.71
Dipole, Da:	4.88
IP(EA), eV:	-9.01(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-bromo-2-chlorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(C2=C(C(=CC=C2)Br)Cl)O)OC

DOS

IR

Vibrations