Geometry & MOs

Info

ID:	333738
PubChem CID:	127252290
Reduced:	ON3C12H13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	434.186652
ΔH_f, kcal/mol:	2.15
Dipole, Da:	5.63
IP(EA), eV:	-9.41(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(3-fluorophenyl)methyl]-4-methyl-2-[1-(1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=C2CCC(=O)N(C2=NC(=N1)C3CCN(C3)C(=O)C4=CC=NN4)CCC5=CC=CC=C5

DOS

IR

Vibrations