Geometry & MOs

Info

ID:	364240
PubChem CID:	127314544
Reduced:	O3N4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	389.185175
ΔH_f, kcal/mol:	-61.83
Dipole, Da:	4.08
IP(EA), eV:	-9.23(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CC=CC=C2O)C(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations