Geometry & MOs

Info

ID:	257171
PubChem CID:	103144185
Reduced:	BrN3H12C16 (1)
Stoich.:	AB3C12D16 (1)
Weight, g/mol:	275.001703
ΔH_f, kcal/mol:	103.45
Dipole, Da:	3.1
IP(EA), eV:	-9.47(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3,6-dichloropyridazin-4-yl)isoquinoline

Drug info:

PubChemData

Smile

C1CC1C2=NC(=CC(=N2)Br)C3=CC=CC4=C3C=NC=C4

DOS

IR

Vibrations