Geometry & MOs

Info

ID:	160297
PubChem CID:	57309644
Reduced:	NOC3H5 (2)
Stoich.:	ABC3D5 (2)
Weight, g/mol:	466.189257
ΔH_f, kcal/mol:	-47.46
Dipole, Da:	3.09
IP(EA), eV:	-9.66(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-benzyl 5-O-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl) pentanedioate

Drug info:

PubChemData

Smile

COCOCC1=CC=NN1

DOS

IR

Vibrations