Geometry & MOs

Info

ID:	184141
PubChem CID:	77117388
Reduced:	O2N5C22H23 (1)
Stoich.:	A2B5C22D23 (1)
Weight, g/mol:	491.216869
ΔH_f, kcal/mol:	14.62
Dipole, Da:	7.49
IP(EA), eV:	-9.41(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[6-cyano-5-(2-hydroxynaphthalen-1-yl)-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

CC1CC(CN(C1)C2=NC(=O)C3=C(C(C(=O)N=C3N2)C#N)C4=CC=CC(=C4)C)C

DOS

IR

Vibrations