Geometry & MOs

Info

ID:	333623
PubChem CID:	127252175
Reduced:	FON4C26H33 (1)
Stoich.:	ABC4D26E33 (1)
Weight, g/mol:	426.241962
ΔH_f, kcal/mol:	-68.12
Dipole, Da:	2.3
IP(EA), eV:	-8.57(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzylpyrrolidin-3-yl)-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=C2CCC(=O)N(C2=NC(=N1)C3CCN(C3)C4CCCCC4)CCC5=CC=CC=C5F

DOS

IR

Vibrations