Geometry & MOs

Info

ID:	77205
PubChem CID:	48425923
Reduced:	SO3N4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	334.175339
ΔH_f, kcal/mol:	-56.04
Dipole, Da:	2.68
IP(EA), eV:	-9.15(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=CC=CC=C1SCC2=NC(=NO2)C

DOS

IR

Vibrations