Geometry & MOs

Info

ID:	32153
PubChem CID:	4266408
Reduced:	ClOF3N7C22H23 (1)
Stoich.:	ABC3D7E22F23 (1)
Weight, g/mol:	511.290703
ΔH_f, kcal/mol:	-109.04
Dipole, Da:	4.8
IP(EA), eV:	-8.56(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-dodecyl-3-methyl-8-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC(=N1)N2CCN(CC2)C3=CC(=CC=C3)Cl)NC4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations