Geometry & MOs

Info

ID:	256370
PubChem CID:	103138811
Reduced:	BrFON2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	341.05276
ΔH_f, kcal/mol:	-25.57
Dipole, Da:	5.2
IP(EA), eV:	-9.63(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(4-bromo-2-ethylphenyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=C(C=C(C=C2)F)Br)O

DOS

IR

Vibrations