Geometry & MOs

Info

ID:	314592
PubChem CID:	126622373
Reduced:	OF4N7H17C24 (1)
Stoich.:	AB4C7D17E24 (1)
Weight, g/mol:	324.184921
ΔH_f, kcal/mol:	-74.26
Dipole, Da:	4.75
IP(EA), eV:	-9.13(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-fluoro-2-[(1S)-1-hydroxy-2-(6-methylpyridin-2-yl)ethyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)C4=NC(=CC=C4)C(F)(F)F)NC5=C(C=NC=C5)F

DOS

IR

Vibrations