Geometry & MOs

Info

ID:	325245
PubChem CID:	126682266
Reduced:	BrFN3H19C20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	336.175025
ΔH_f, kcal/mol:	30.95
Dipole, Da:	3.25
IP(EA), eV:	-8.78(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-3,3,4,4-tetramethyl-1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)isoquinoline

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC=C2F)C(=NC1(C)C)C3=CN4C(=CC=C4Br)N=C3)C

DOS

IR

Vibrations