Geometry & MOs

Info

ID:	184142
PubChem CID:	77117389
Reduced:	N5O5C26H29 (1)
Stoich.:	A5B5C26D29 (1)
Weight, g/mol:	439.221954
ΔH_f, kcal/mol:	-145.59
Dipole, Da:	7.14
IP(EA), eV:	-8.8(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[6-cyano-5-(4-methylphenyl)-4,7-dioxo-1,2,3,4a,5,6,8,8a-octahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C2NC3C(C(C(C(=O)N3)C#N)C4=C(C=CC5=CC=CC=C54)O)C(=O)N2

DOS

IR

Vibrations