Geometry & MOs

Info

ID:	380658
PubChem CID:	134971177
Reduced:	O2H7C10 (2)
Stoich.:	A2B7C10 (2)
Weight, g/mol:	245.091275
ΔH_f, kcal/mol:	-62.01
Dipole, Da:	4.42
IP(EA), eV:	-8.59(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-2,4-dioxo-7,8-dihydro-5H-pyrido[2,3-d]pyrimidine-6,6-dicarbonitrile

Drug info:

PubChemData

Smile

COC1=C(C2=C(C3=CC=CC=C31)C(=O)C4=CC=CC=C4C2=O)OC

DOS

IR

Vibrations