Geometry & MOs

Info

ID:	449655
PubChem CID:	135300358
Reduced:	O2N4H20C23 (1)
Stoich.:	A2B4C20D23 (1)
Weight, g/mol:	393.15896
ΔH_f, kcal/mol:	3.77
Dipole, Da:	6.73
IP(EA), eV:	-9.09(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]isoquinoline-1-carbonitrile

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC3=NC(=CN=C3C=C2)C4=CC5=C(C=C4)C(=O)NC=C5

DOS

IR

Vibrations