Geometry & MOs

Info

ID:	256340
PubChem CID:	103138629
Reduced:	ClON2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	282.184447
ΔH_f, kcal/mol:	0.69
Dipole, Da:	4.77
IP(EA), eV:	-9.2(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)isoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C2=NN(C=C2)C)O)Cl

DOS

IR

Vibrations