Geometry & MOs

Info

ID:	25169
PubChem CID:	620695
Reduced:	NH6C9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	256.100048
ΔH_f, kcal/mol:	121.3
Dipole, Da:	4.42
IP(EA), eV:	-9.08(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-isoquinolin-3-ylquinoline

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C=NC3=CC=CC=C3C#N

DOS

IR

Vibrations