Geometry & MOs

Info

ID:	256072
PubChem CID:	103136859
Reduced:	BrNO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	269.189198
ΔH_f, kcal/mol:	-77.1
Dipole, Da:	5.77
IP(EA), eV:	-8.94(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-cyclooctylisoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=CC=C(C2=O)Br

DOS

IR

Vibrations