Geometry & MOs

Info

ID:	256587
PubChem CID:	103140026
Reduced:	ClNO2C11H20 (1)
Stoich.:	ABC2D11E20 (1)
Weight, g/mol:	393.91394
ΔH_f, kcal/mol:	-113.82
Dipole, Da:	1.28
IP(EA), eV:	-8.85(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2,4-dibromophenoxy)isoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2CCOCC2CCl

DOS

IR

Vibrations