Geometry & MOs

Info

ID:	306195
PubChem CID:	125002536
Reduced:	N3O4H23C24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	441.18009
ΔH_f, kcal/mol:	-75.95
Dipole, Da:	5.31
IP(EA), eV:	-9.04(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-methyl-7-[(3R)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)C2=NC3=CC=CC=C3N2)CC4=CC=C(O4)C5=CC(=C(C=C5)C(=O)O)O

DOS

IR

Vibrations