Geometry & MOs

Info

ID:	193058
PubChem CID:	78337594
Reduced:	ClN4O7H11C16 (1)
Stoich.:	AB4C7D11E16 (1)
Weight, g/mol:	406.152016
ΔH_f, kcal/mol:	-63.42
Dipole, Da:	6.48
IP(EA), eV:	-9.58(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-[1-(4-chloro-3-methylphenoxy)propan-2-ylidene]hydrazinyl]-1,3,7-trimethyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=CC=C(O2)C=CC3C(C(=O)NC(=O)N3)[N+](=O)[O-])Cl)[N+](=O)[O-]

DOS

IR

Vibrations