Geometry & MOs

Info

ID:	235881
PubChem CID:	92710969
Reduced:	N5O5C19H21 (1)
Stoich.:	A5B5C19D21 (1)
Weight, g/mol:	407.122969
ΔH_f, kcal/mol:	-129.56
Dipole, Da:	6.73
IP(EA), eV:	-8.54(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-9-(2-methoxyphenyl)-8-oxo-1,7-dihydropurine-6-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C[C@@H]4CCCO4)C(=O)N)OC

DOS

IR

Vibrations