Geometry & MOs

Info

ID:	333739
PubChem CID:	127252291
Reduced:	FO2N6C23H23 (1)
Stoich.:	AB2C6D23E23 (1)
Weight, g/mol:	444.227374
ΔH_f, kcal/mol:	-39.01
Dipole, Da:	5.2
IP(EA), eV:	-9.72(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-8-(3-phenylpropyl)-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)CC5=CC(=CC=C5)F

DOS

IR

Vibrations