Geometry & MOs

Info

ID:	312066
PubChem CID:	126602231
Reduced:	BrO2F3H8C14 (1)
Stoich.:	AB2C3D8E14 (1)
Weight, g/mol:	492.17731
ΔH_f, kcal/mol:	-192.37
Dipole, Da:	4.38
IP(EA), eV:	-10.13(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)phenyl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC(=C(C=C2)Br)C(F)(F)F)C(=O)O

DOS

IR

Vibrations