Geometry & MOs

Info

ID:	15444
PubChem CID:	442155
Reduced:	NO6C21H21 (1)
Stoich.:	AB6C21D21 (1)
Weight, g/mol:	383.136887
ΔH_f, kcal/mol:	-167.65
Dipole, Da:	2.87
IP(EA), eV:	-8.19(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one

Drug info:

PubChemData

Smile

CN1CCC2=CC(=C(C=C2[C@H]1[C@@H]3C4=C(C5=C(C=C4)OCO5)C(=O)O3)OC)OC

DOS

IR

Vibrations