Geometry & MOs

Info

ID:	370601
PubChem CID:	127339739
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	354.144038
ΔH_f, kcal/mol:	-53.67
Dipole, Da:	4.58
IP(EA), eV:	-8.72(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(CC2)C(=O)COC3=CC4=C(C=C3)OC5=C4CCCC5

DOS

IR

Vibrations