Geometry & MOs

Info

ID:	364099
PubChem CID:	127314034
Reduced:	SO3N4C17H18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	296.130697
ΔH_f, kcal/mol:	-56.75
Dipole, Da:	10.42
IP(EA), eV:	-9.37(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-methylpiperidin-1-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations