Geometry & MOs

Info

ID:	364107
PubChem CID:	127314053
Reduced:	SO3N4C18H20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	296.130697
ΔH_f, kcal/mol:	-68.31
Dipole, Da:	9.43
IP(EA), eV:	-9.32(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations