Geometry & MOs

Info

ID:	311717
PubChem CID:	126597283
Reduced:	FN3O6H24C25 (1)
Stoich.:	AB3C6D24E25 (1)
Weight, g/mol:	493.15368
ΔH_f, kcal/mol:	-177.65
Dipole, Da:	4.96
IP(EA), eV:	-9.09(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(5-fluoro-2-phenylmethoxycarbonyloxy-3,4-dihydro-1H-isoquinolin-8-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]acetic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)CC(=O)OC)C2=C3CN(CCC3=C(C=C2)F)OC(=O)OC4=NC=CN=C4

DOS

IR

Vibrations