Geometry & MOs

Info

ID:	380305
PubChem CID:	134970715
Reduced:	NO7C14H19 (1)
Stoich.:	AB7C14D19 (1)
Weight, g/mol:	328.154883
ΔH_f, kcal/mol:	-260.16
Dipole, Da:	4.22
IP(EA), eV:	-9.04(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(7S)-3,9-dimethoxy-7-methyl-5,6,12,12a-tetrahydroindolo[2,1-a]isoquinolin-7-ium-2,10-diol

Drug info:

PubChemData

Smile

COC1=C(C(=C2C(=C1)CN(C2(O)OC)C(=O)OC)OC)OC

DOS

IR

Vibrations