Geometry & MOs

Info

ID:	89964
PubChem CID:	49965626
Reduced:	N3O7C30H35 (1)
Stoich.:	A3B7C30D35 (1)
Weight, g/mol:	326.101505
ΔH_f, kcal/mol:	-151.83
Dipole, Da:	5.64
IP(EA), eV:	-7.98(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-5-(2,4-dimethoxyphenyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile

Drug info:

PubChemData

Smile

CCN1C/C(=C\C2=CC(=C(C=C2OC)OC)OC)/C3=C(C1)C(C(=C(O3)N)C#N)C4=CC(=C(C=C4OC)OC)OC

DOS

IR

Vibrations