Geometry & MOs

Info

ID:	395286
PubChem CID:	135025085
Reduced:	OC9H9 (2)
Stoich.:	AB9C9 (2)
Weight, g/mol:	300.085855
ΔH_f, kcal/mol:	-14.42
Dipole, Da:	0.78
IP(EA), eV:	-9.36(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-6-nitro-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC[C@H]2C=C[C@@H](O2)C3=CC=CC=C3

DOS

IR

Vibrations