Geometry & MOs

Info

ID:	446222
PubChem CID:	135273242
Reduced:	NF2O3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	486.247835
ΔH_f, kcal/mol:	-175.12
Dipole, Da:	7.6
IP(EA), eV:	-9.27(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-(5-amino-1-methoxy-1,5-dioxopentan-2-yl)-4-methylidene-1-oxo-3H-isoquinolin-6-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCOC1=CC2=C(C=C1)C(=O)N(C2=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations