Geometry & MOs

Info

ID:	335049
PubChem CID:	127253855
Reduced:	ClNF3O6H17C23 (1)
Stoich.:	ABC3D6E17F23 (1)
Weight, g/mol:	374.184172
ΔH_f, kcal/mol:	-314.59
Dipole, Da:	6.01
IP(EA), eV:	-9.25(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-N-[(4-methoxy-6-methyl-5-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)/C(=C/NC2=CC(=C(C(=C2)F)F)F)/C(=O)[C@]13C(=O)C4=C(O3)C(=C(C=C4OC)OC)Cl

DOS

IR

Vibrations