Geometry & MOs

Info

ID:	444303
PubChem CID:	135261995
Reduced:	CFH (5)
Stoich.:	ABC (5)
Weight, g/mol:	501.2475
ΔH_f, kcal/mol:	-245.71
Dipole, Da:	0.64
IP(EA), eV:	-11.21(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[4-methylidene-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1-oxo-3H-isoquinolin-2-yl]pentanedioate

Drug info:

PubChemData

Smile

C(C=C(C(F)F)C(F)F)F

DOS

IR

Vibrations