Geometry & MOs

Info

ID:	364019
PubChem CID:	127313690
Reduced:	O2N5C20H21 (1)
Stoich.:	A2B5C20D21 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	-24.56
Dipole, Da:	4.89
IP(EA), eV:	-9.05(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxo-1-phenylethyl]piperidin-2-one

Drug info:

PubChemData

Smile

C1CCC(C1)N2C3=C(C=C(C=C3)C(=O)N4CCC5=CN=CN=C5C4)NC2=O

DOS

IR

Vibrations