Geometry & MOs

Info

ID:	436539
PubChem CID:	135205071
Reduced:	Br2O3N4C16H20 (1)
Stoich.:	A2B3C4D16E20 (1)
Weight, g/mol:	373.155018
ΔH_f, kcal/mol:	-123.33
Dipole, Da:	5.54
IP(EA), eV:	-9.17(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(1R)-1-[2-(1-aminopropan-2-yloxy)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H]1C2=CN3C(=C(N=C3Br)Br)C(=O)N2)C(=O)OC(C)(C)C

DOS

IR

Vibrations