Geometry & MOs

Info

ID:	192961
PubChem CID:	78329548
Reduced:	N4O4C27H30 (1)
Stoich.:	A4B4C27D30 (1)
Weight, g/mol:	433.198814
ΔH_f, kcal/mol:	-30.2
Dipole, Da:	7.54
IP(EA), eV:	-8.08(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-(2-phenylethyl)-5H-purin-7-ium-2,6-dione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2CC(NN2)C(=O)NN=CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4

DOS

IR

Vibrations