Geometry & MOs

Info

ID:	11486
PubChem CID:	116174
Reduced:	ClNC13H18 (2)
Stoich.:	ABC13D18 (2)
Weight, g/mol:	446.225555
ΔH_f, kcal/mol:	-53.33
Dipole, Da:	7.14
IP(EA), eV:	-8.7(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexyl]methyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride

Drug info:

PubChemData

Smile

C1CC(CCC1CN2CCC3=CC=CC=C3C2)CN4CCC5=CC=CC=C5C4.Cl.Cl

DOS

IR

Vibrations