Geometry & MOs

Info

ID:	449667
PubChem CID:	135300440
Reduced:	NOC7H11 (1)
Stoich.:	ABC7D11 (1)
Weight, g/mol:	398.174276
ΔH_f, kcal/mol:	-4.17
Dipole, Da:	1.47
IP(EA), eV:	-9.53(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=C\C=C)/C(=N)OC

DOS

IR

Vibrations