Geometry & MOs

Info

ID:	184138
PubChem CID:	77117176
Reduced:	O3N5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	403.200825
ΔH_f, kcal/mol:	-65.25
Dipole, Da:	4.44
IP(EA), eV:	-8.84(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CCCCN1C2NC3C(C(C(C(=O)N3)C#N)C4=C(C=CC5=CC=CC=C54)O)C(=O)N2

DOS

IR

Vibrations