Geometry & MOs

Info

ID:	53604
PubChem CID:	14716896
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	613.984704
ΔH_f, kcal/mol:	-36.31
Dipole, Da:	1.4
IP(EA), eV:	-8.34(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[5-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hydrazinylidene]benzo[de]isoquinoline-1,3,6-trione

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)OC)OCC2=CC=CC=C2)N

DOS

IR

Vibrations