Geometry & MOs

Info

ID:	424843
PubChem CID:	135124161
Reduced:	OF2N4H18C21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	315.127072
ΔH_f, kcal/mol:	-40.26
Dipole, Da:	3.41
IP(EA), eV:	-8.54(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-7-fluoro-4-[6-(oxolan-3-yloxy)pyridin-3-yl]-2,3-dihydro-1H-inden-1-ol

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C2=CC3=C(C(=C2)N)NC(=O)C34CCC4)C5=C(C=C(C=C5)F)F

DOS

IR

Vibrations