Geometry & MOs

Info

ID:	46767
PubChem CID:	10527122
Reduced:	N3O6C23H27 (1)
Stoich.:	A3B6C23D27 (1)
Weight, g/mol:	441.18009
ΔH_f, kcal/mol:	-191.17
Dipole, Da:	4.11
IP(EA), eV:	-9.48(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-3-phenyl-5-(4-phenylpiperazine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(=O)N(C(=O)OCC1=CC=CC=C1)N(CCC(=O)N(C)C)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations