Geometry & MOs

Info

ID:	68166
PubChem CID:	46507884
Reduced:	FON3H18C20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	416.221226
ΔH_f, kcal/mol:	-2.85
Dipole, Da:	7.85
IP(EA), eV:	-9.35(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-benzyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-propan-2-ylphenyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CC2=C1C(=O)N=C(N2)C3=CC=C(C=C3)F)CC4=CC=CC=C4

DOS

IR

Vibrations