Geometry & MOs

Info

ID:	14448
PubChem CID:	411660
Reduced:	N2C23H34 (1)
Stoich.:	A2B23C34 (1)
Weight, g/mol:	338.272199
ΔH_f, kcal/mol:	-4.26
Dipole, Da:	1.16
IP(EA), eV:	-7.98(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pentyl]-1H-isoquinoline

Drug info:

PubChemData

Smile

C1CCC2CN(CCC2C1)CCCCCN3CC4=CC=CC=C4C=C3

DOS

IR

Vibrations