Geometry & MOs

Info

ID:	169661
PubChem CID:	75133738
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	331.177016
ΔH_f, kcal/mol:	-39.92
Dipole, Da:	2.43
IP(EA), eV:	-9.49(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-(3-ethylpiperidine-1-carbonyl)-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1OC)NC(=O)C2C=CC(=O)N=N2

DOS

IR

Vibrations