Geometry & MOs

Info

ID:	256580
PubChem CID:	103139997
Reduced:	BrNOC11H22 (1)
Stoich.:	ABCD11E22 (1)
Weight, g/mol:	282.082684
ΔH_f, kcal/mol:	-81.94
Dipole, Da:	2.95
IP(EA), eV:	-9.05(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-methylsulfanylphenoxy)isoquinolin-5-amine

Drug info:

PubChemData

Smile

CCC(CCBr)NCC1CCC(O1)C

DOS

IR

Vibrations