Geometry & MOs

Info

ID:	447664
PubChem CID:	135284543
Reduced:	OSN5C21H27 (1)
Stoich.:	ABC5D21E27 (1)
Weight, g/mol:	248.026502
ΔH_f, kcal/mol:	27.79
Dipole, Da:	7.12
IP(EA), eV:	-8.56(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(5-chloro-6-fluoropyridin-3-yl)pyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NC(=NC=C2)NC3=NC=CS3)OC[C@](C)(CC(C)C)N

DOS

IR

Vibrations