Geometry & MOs

Info

ID:	256323
PubChem CID:	103138463
Reduced:	ON4C14H16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	269.189198
ΔH_f, kcal/mol:	12.34
Dipole, Da:	4.1
IP(EA), eV:	-8.44(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(3,5-dimethylcyclohexyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CN1CCN(CC1=O)C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations