Geometry & MOs

Info

ID:	37009
PubChem CID:	8016072
Reduced:	O2N3C15H22 (1)
Stoich.:	A2B3C15D22 (1)
Weight, g/mol:	341.150132
ΔH_f, kcal/mol:	-71.69
Dipole, Da:	4.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.972682
Charge, e:	1

Chem-info

IUPAC name:

2-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-1-pyridin-3-ylethanone

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@@H]1C3=CC=CC(=O)N3C2)C(=O)CCC[NH3+]

DOS

IR

Vibrations