Geometry & MOs

Info

ID:	37090
PubChem CID:	8016813
Reduced:	FN2O2H15C25 (1)
Stoich.:	AB2C2D15E25 (1)
Weight, g/mol:	355.165782
ΔH_f, kcal/mol:	-3.98
Dipole, Da:	1.88
IP(EA), eV:	-8.6(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-9-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC2=CC3=C(C=C2)N4C5=C3C=CN=C5C6=CC=CC=C6C4=O)F

DOS

IR

Vibrations