Geometry & MOs

Info

ID:	43762
PubChem CID:	10321754
Reduced:	O5C28H38 (1)
Stoich.:	A5B28C38 (1)
Weight, g/mol:	454.283158
ΔH_f, kcal/mol:	-151.6
Dipole, Da:	5.43
IP(EA), eV:	-9.37(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC(C1)C(C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=CC6)C)O5)C)CO

DOS

IR

Vibrations