Geometry & MOs

Info

ID:	192990
PubChem CID:	78333321
Reduced:	O3N5C22H31 (1)
Stoich.:	A3B5C22D31 (1)
Weight, g/mol:	437.173742
ΔH_f, kcal/mol:	-73.92
Dipole, Da:	2.55
IP(EA), eV:	-8.79(0.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2CC(CN3C2NC4C3C(=O)N(C(=O)N4C)CC(=C)C)C

DOS

IR

Vibrations