Geometry & MOs

Info

ID:	333517
PubChem CID:	127252069
Reduced:	O4N5C19H19 (1)
Stoich.:	A4B5C19D19 (1)
Weight, g/mol:	441.18009
ΔH_f, kcal/mol:	-96.51
Dipole, Da:	4.15
IP(EA), eV:	-9.58(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=N2)C3CN(CCO3)C(=O)C4=CN=CC=C4)C(=O)N(C1=O)C

DOS

IR

Vibrations