Geometry & MOs

Info

ID:	296911
PubChem CID:	117600502
Reduced:	O2N6C23H24 (1)
Stoich.:	A2B6C23D24 (1)
Weight, g/mol:	333.95647
ΔH_f, kcal/mol:	47.41
Dipole, Da:	6.6
IP(EA), eV:	-9.01(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-bromo-5-(trifluoromethyl)phenyl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)C2=CNN(C2=O)C3=NC=C(C=C3)C(=O)N(C)C4CCN(C4)C

DOS

IR

Vibrations