Geometry & MOs

Info

ID:	162948
PubChem CID:	57580981
Reduced:	SN3O6C30H37 (1)
Stoich.:	AB3C6D30E37 (1)
Weight, g/mol:	357.194008
ΔH_f, kcal/mol:	-200.87
Dipole, Da:	5.09
IP(EA), eV:	-8.54(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(13aR)-2,3,9,10-tetramethoxy-6,8,8a,12a,13,13a-hexahydro-5H-isoquinolino[2,1-b]isoquinoline

Drug info:

PubChemData

Smile

COC1=C(C2=C(C[C@@H]3C4=CC(=C(C=C4CCN3C2)OC(=O)CCCCC5C6C(CS5)NC(=O)N6)OC)C=C1)OC

DOS

IR

Vibrations