Geometry & MOs

Info

ID:	50614
PubChem CID:	12013171
Reduced:	N2O7C24H34 (1)
Stoich.:	A2B7C24D34 (1)
Weight, g/mol:	474.204925
ΔH_f, kcal/mol:	-249.81
Dipole, Da:	7.21
IP(EA), eV:	-8.59(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-methoxy-3-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-1-methyl-3-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN(CC)C(=N/C(=C/C(=O)OC)/C(=O)OC)C(=C(OCC)OCC)C1=CC=C(C=C1)OC

DOS

IR

Vibrations