Geometry & MOs

Info

ID:	63145
PubChem CID:	26744407
Reduced:	FO2N3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	429.169999
ΔH_f, kcal/mol:	-25.11
Dipole, Da:	3.03
IP(EA), eV:	-9.1(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C[C@@H](C[C@H]2C3=NC(=NO3)C4=CC=C(C=C4)F)O

DOS

IR

Vibrations