Geometry & MOs

Info

ID:	256593
PubChem CID:	103140065
Reduced:	BrNOC12H22 (1)
Stoich.:	ABCD12E22 (1)
Weight, g/mol:	230.141913
ΔH_f, kcal/mol:	-74.47
Dipole, Da:	1.51
IP(EA), eV:	-8.82(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-methylbutan-2-yloxy)isoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1CCN(C1CBr)CC2CCC(O2)C

DOS

IR

Vibrations