Geometry & MOs

Info

ID:	257175
PubChem CID:	103144217
Reduced:	ClN2F3H8C15 (1)
Stoich.:	AB2C3D8E15 (1)
Weight, g/mol:	241.040675
ΔH_f, kcal/mol:	-81.12
Dipole, Da:	3.21
IP(EA), eV:	-9.49(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-chloropyrazin-2-yl)isoquinoline

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C3=NC(=CC(=C3)C(F)(F)F)Cl

DOS

IR

Vibrations