Geometry & MOs

Info

ID:	160590
PubChem CID:	57389144
Reduced:	OSN6C12H12 (1)
Stoich.:	ABC6D12E12 (1)
Weight, g/mol:	342.12628
ΔH_f, kcal/mol:	43.5
Dipole, Da:	3.66
IP(EA), eV:	-8.55(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methylsulfanyl-1-piperidin-4-ylpyrazolo[4,3-h]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=CC3=C2N=C(N=C3N)SC)C(=N1)C(=O)N

DOS

IR

Vibrations