Geometry & MOs

Info

ID:	1654
PubChem CID:	4831
Reduced:	O3N5C14H17 (1)
Stoich.:	A3B5C14D17 (1)
Weight, g/mol:	303.133139
ΔH_f, kcal/mol:	-77.18
Dipole, Da:	10.64
IP(EA), eV:	-9.54(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCNCC3)C(=O)O

DOS

IR

Vibrations