Geometry & MOs

Info

ID:	419342
PubChem CID:	135108000
Reduced:	NSO3C20H23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	360.204907
ΔH_f, kcal/mol:	-84.62
Dipole, Da:	6.82
IP(EA), eV:	-8.92(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,5S,6R,7R)-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]-N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C3(CCN(CC3)C(=O)CC4=CSC=C4)OCC2

DOS

IR

Vibrations