Geometry & MOs

Info

ID:	449654
PubChem CID:	135300353
Reduced:	ON4H18C19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	384.158626
ΔH_f, kcal/mol:	47.03
Dipole, Da:	5.67
IP(EA), eV:	-9.58(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations