Geometry & MOs

Info

ID:	37180
PubChem CID:	8018001
Reduced:	ClN5O5C12H14 (1)
Stoich.:	AB5C5D12E14 (1)
Weight, g/mol:	400.093833
ΔH_f, kcal/mol:	-184.44
Dipole, Da:	5.25
IP(EA), eV:	-9.24(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-7-[(7-ethyl-2-oxochromen-4-yl)methyl]-1,3-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CCOC(=O)NC(=O)CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

DOS

IR

Vibrations