Geometry & MOs

Info

ID:	364234
PubChem CID:	127314538
Reduced:	ON5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	24.44
Dipole, Da:	6.63
IP(EA), eV:	-8.56(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(4-hydroxypiperidin-1-yl)-2-phenylethanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations