Geometry & MOs

Info

ID:	422899
PubChem CID:	135118585
Reduced:	ON5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	340.164774
ΔH_f, kcal/mol:	26.35
Dipole, Da:	3.36
IP(EA), eV:	-8.46(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methyl]-1-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(C)C1=NC=CN=C1NCC2CN(CCCO2)CC3=CC=CC=C3

DOS

IR

Vibrations