Geometry & MOs

Info

ID:	325246
PubChem CID:	126682270
Reduced:	FN4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	340.149953
ΔH_f, kcal/mol:	43.59
Dipole, Da:	2.04
IP(EA), eV:	-9.18(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-1-(3-fluoropyrazolo[1,5-a]pyrimidin-6-yl)-3,3,4,4-tetramethylisoquinoline

Drug info:

PubChemData

Smile

CC1=NN2C=C(C=NC2=C1)C3=NC(C(C4=C3C=CC=C4F)(C)C)(C)C

DOS

IR

Vibrations