Geometry & MOs

Info

ID:	184139
PubChem CID:	77117177
Reduced:	O2N5C23H25 (1)
Stoich.:	A2B5C23D25 (1)
Weight, g/mol:	419.19574
ΔH_f, kcal/mol:	11.43
Dipole, Da:	6.6
IP(EA), eV:	-9.4(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-ethoxyphenyl)-2-(2-ethylpiperidin-1-yl)-4,7-dioxo-1,6-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile

Drug info:

PubChemData

Smile

CCC1CCCCN1C2=NC(=O)C3=C(C(C(=O)N=C3N2)C#N)C4=CC=C(C=C4)CC

DOS

IR

Vibrations