Geometry & MOs

Info

ID:	333642
PubChem CID:	127252194
Reduced:	O2F3N4C23H25 (1)
Stoich.:	A2B3C4D23E25 (1)
Weight, g/mol:	441.252861
ΔH_f, kcal/mol:	-145.23
Dipole, Da:	2.5
IP(EA), eV:	-9.08(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-8-(3-phenylpropyl)-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)CC3=CC=NC=C3)CCOC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations