Geometry & MOs

Info

ID:	357864
PubChem CID:	127295364
Reduced:	ON5C19H31 (1)
Stoich.:	AB5C19D31 (1)
Weight, g/mol:	316.201159
ΔH_f, kcal/mol:	-30.48
Dipole, Da:	4.28
IP(EA), eV:	-8.51(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-(3-pyrrolidin-1-ylazepan-1-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)C3=NC=NC(=C3)N4CCCC(C4)CO

DOS

IR

Vibrations