Geometry & MOs

Info

ID:	359815
PubChem CID:	127299859
Reduced:	BrSN6C13H15 (1)
Stoich.:	ABC6D13E15 (1)
Weight, g/mol:	377.05997
ΔH_f, kcal/mol:	115.2
Dipole, Da:	3.52
IP(EA), eV:	-8.77(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN2C(=N1)SC(=N2)N3CCC(CC3)N4C=C(C=N4)Br

DOS

IR

Vibrations