Geometry & MOs

Info

ID:	25910
PubChem CID:	633440
Reduced:	O7H20C21 (1)
Stoich.:	A7B20C21 (1)
Weight, g/mol:	385.188923
ΔH_f, kcal/mol:	-195.81
Dipole, Da:	8.01
IP(EA), eV:	-8.97(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,3-dimethoxy-11-oxo-6,8,9,10,13,13a-hexahydro-5H-isoquinolino[2,1-b]isoquinoline-8a-carboxylate

Drug info:

PubChemData

Smile

CC1(C(O1)CC2=C(C(=CC(=C2OC)O)O)C3=COC4=CC(=O)C=CC4=C3O)C

DOS

IR

Vibrations