Geometry & MOs

Info

ID:	43430
PubChem CID:	10321284
Reduced:	F2N3O5H21C22 (1)
Stoich.:	A2B3C5D21E22 (1)
Weight, g/mol:	445.161326
ΔH_f, kcal/mol:	-180.08
Dipole, Da:	11.9
IP(EA), eV:	-8.23(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[5-[4-(4,4,4-trifluorobutyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(C(C=C)(F)F)NC2=C(C(=O)C2=O)NC3=CC=CC(=C3O)C(=O)N(C)C

DOS

IR

Vibrations