Geometry & MOs

Info

ID:	447682
PubChem CID:	135284758
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	239.060723
ΔH_f, kcal/mol:	-54.64
Dipole, Da:	2.63
IP(EA), eV:	-8.61(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-pyrazolo[1,5-a]pyrimidin-7-ylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=C3C(=NC=C2)CNC3=O)OC[C@](C)(CC(C)C)N

DOS

IR

Vibrations