Geometry & MOs

Info

ID:	372959
PubChem CID:	131307571
Reduced:	BrClO2H8C9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	352.89122
ΔH_f, kcal/mol:	-59.73
Dipole, Da:	3.14
IP(EA), eV:	-9.23(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-5-bromo-8-iodo-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC(=C1Br)OC)Cl

DOS

IR

Vibrations