Geometry & MOs

Info

ID:	182255
PubChem CID:	76865403
Reduced:	BrNSO4H12C14 (1)
Stoich.:	ABCD4E12F14 (1)
Weight, g/mol:	365.135111
ΔH_f, kcal/mol:	-96.42
Dipole, Da:	6.27
IP(EA), eV:	-9.62(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)CNC(=O)C=CC2=CC=C(S2)Br)C(=O)O

DOS

IR

Vibrations