Geometry & MOs

Info

ID:	394112
PubChem CID:	135022361
Reduced:	OC4H6 (4)
Stoich.:	AB4C6 (4)
Weight, g/mol:	281.116427
ΔH_f, kcal/mol:	-158.71
Dipole, Da:	1.92
IP(EA), eV:	-9.04(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,7-trimethyl-6-phenylpyrido[3,2-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C[C@@]1(CC2C34[C@@H](CC3(C)C)[C@H]5[C@H]([C@@H]1[C@@H]([C@@H]5O2)OC)O4)O

DOS

IR

Vibrations