Geometry & MOs

Info

ID:	159069
PubChem CID:	57260111
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	334.160518
ΔH_f, kcal/mol:	-79.09
Dipole, Da:	1.95
IP(EA), eV:	-8.51(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-(2,4-difluorophenyl)-3-(3-methylidenepyrrolidin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol

Drug info:

PubChemData

Smile

CO/C=C(\C(C1=CC=CC=C1)OC)/OC

DOS

IR

Vibrations