Geometry & MOs

Info

ID:	148083
PubChem CID:	53787745
Reduced:	ClN3C8H11 (2)
Stoich.:	AB3C8D11 (2)
Weight, g/mol:	282.209599
ΔH_f, kcal/mol:	56.14
Dipole, Da:	4.65
IP(EA), eV:	-8.34(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-butylpiperidin-4-yl)-1-methylisoquinoline

Drug info:

PubChemData

Smile

C1CCN(CC1)C=NC2=C(N=C(N=C2Cl)N=CN3CCCCC3)Cl

DOS

IR

Vibrations