Geometry & MOs

Info

ID:	145585
PubChem CID:	53548826
Reduced:	BrNO3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	339.180758
ΔH_f, kcal/mol:	-122.59
Dipole, Da:	4.42
IP(EA), eV:	-9.3(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(6-pyrrolidin-1-ylpyridin-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol

Drug info:

PubChemData

Smile

CC(C)(CC1=CC=C(C=C1)Br)NC(=O)C2COCCO2

DOS

IR

Vibrations