Geometry & MOs

Info

ID:	223565
PubChem CID:	85335245
Reduced:	O4C11H20 (2)
Stoich.:	A4B11C20 (2)
Weight, g/mol:	434.127631
ΔH_f, kcal/mol:	-414.54
Dipole, Da:	4.56
IP(EA), eV:	-10.05(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dichlorophenyl)-8-ethyl-7-hepta-1,6-dien-4-yl-1-methyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CCC1C(C(C(C(=O)C(C(C(C(C(C(C(C(=O)O1)C)O)C)C)(C)O)O)CO)C)O)C

DOS

IR

Vibrations