Geometry & MOs

Info

ID:	46019
PubChem CID:	10520479
Reduced:	ClSN2O2H11C16 (1)
Stoich.:	ABC2D2E11F16 (1)
Weight, g/mol:	330.135972
ΔH_f, kcal/mol:	8.03
Dipole, Da:	3.73
IP(EA), eV:	-9.15(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-piperidin-1-yl-6-pyrazin-2-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium;chloride

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2=C(C1(C#N)C3=CSC=C3)C=CC(=C2)Cl)N

DOS

IR

Vibrations