Geometry & MOs

Info

ID:	364111
PubChem CID:	127314057
Reduced:	SN3O4C15H15 (1)
Stoich.:	AB3C4D15E15 (1)
Weight, g/mol:	296.130697
ΔH_f, kcal/mol:	-82.14
Dipole, Da:	7.89
IP(EA), eV:	-9.39(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC2=NC=NC=C21)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations