Geometry & MOs

Info

ID:	310075
PubChem CID:	126573776
Reduced:	FOCl2N5C16H16 (1)
Stoich.:	ABC2D5E16F16 (1)
Weight, g/mol:	321.164126
ΔH_f, kcal/mol:	-5.3
Dipole, Da:	2.15
IP(EA), eV:	-9.0(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-3,3,4,4-tetramethyl-1-pyrazolo[1,5-a]pyridin-3-ylisoquinoline

Drug info:

PubChemData

Smile

CN(CC1=NC2=C(C=C1)C(=CC(=C2O)Cl)Cl)CC3=NNN=C3CCF

DOS

IR

Vibrations