Geometry & MOs

Info

ID:	59847
PubChem CID:	24899732
Reduced:	ON2F4H10C20 (1)
Stoich.:	AB2C4D10E20 (1)
Weight, g/mol:	330.088353
ΔH_f, kcal/mol:	-84.37
Dipole, Da:	4.3
IP(EA), eV:	-9.22(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2,4-dimethyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C2=[N+](C=CC3=C(C=CN=C32)C4=C(C=C(C=C4)F)F)[O-])F

DOS

IR

Vibrations